ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine

C40H68N6 — CID 143345098

IUPACethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine
SMILESC/C=C\CCCCCN.C=CC1=C(/C=C(\C)CNC(=C)C2=NCC=NC(CC(=C)NC/C(C)=C/C)=C2C)NC(=C)CC1.CC.CC
InChIInChI=1S/C28H39N5.C8H17N.2C2H6/c1-9-19(3)17-31-22(6)16-26-23(7)28(30-14-13-29-26)24(8)32-18-20(4)15-27-25(10-2)12-11-21(5)33-27;1-2-3-4-5-6-7-8-9;2*1-2/h9-10,13,15,31-33H,2,5-6,8,11-12,14,16-18H2,1,3-4,7H3;2-3H,4-9H2,1H3;2*1-2H3/b19-9+,20-15+;3-2-;;
InChIKeyAEQKHRLJWNFYAF-FEQWJVSOSA-N
MW633.03 g/mol
LogP9.77
Rot. Bonds16

About ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine

ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine (PubChem CID 143345098) has the molecular formula C40H68N6 and a molecular weight of 633.03 g/mol. Its IUPAC name is ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine
PubChem CID143345098
Molecular FormulaC40H68N6
Molecular Weight633.03 g/mol
Exact Mass632.55
IUPAC Nameethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine
SMILESC/C=C\CCCCCN.C=CC1=C(/C=C(\C)CNC(=C)C2=NCC=NC(CC(=C)NC/C(C)=C/C)=C2C)NC(=C)CC1.CC.CC
InChIInChI=1S/C28H39N5.C8H17N.2C2H6/c1-9-19(3)17-31-22(6)16-26-23(7)28(30-14-13-29-26)24(8)32-18-20(4)15-27-25(10-2)12-11-21(5)33-27;1-2-3-4-5-6-7-8-9;2*1-2/h9-10,13,15,31-33H,2,5-6,8,11-12,14,16-18H2,1,3-4,7H3;2-3H,4-9H2,1H3;2*1-2H3/b19-9+,20-15+;3-2-;;
InChIKeyAEQKHRLJWNFYAF-FEQWJVSOSA-N
XLogP9.77
TPSA86.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.03
LogP ≤ 59.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(2,3-dihydroacridin-9-yl)heptane-1,7-diamine
CID 122199223
(4Z,7E)-4-ethyl-5-(ethylideneamino)-2-N-[(4-fluoro-3-methylcyclohepta-1,3,5-trien-1-yl)methyl]-3-methylidenenona-1,4,7-triene-2,7-diamine
CID 143343651
N'-[7-(6-aminohexylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]hexane-1,6-diamine
CID 101917799
[4-Ethyl-5-methylimino-11-(prop-2-enylamino)trideca-3,7,10,12-tetraen-3-yl]-methyl-methylideneazanium
CID 91589718
7-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-azepine
CID 123690321
(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine
CID 134188582
(2E,7Z,11Z,16Z)-2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16-nonaene
CID 136620707
1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene
CID 142013442
(1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine
CID 142202383
6-[[[(4E)-5,6-dimethyl-3-[(E)-4-methyliminobut-2-en-2-yl]iminohepta-1,4,6-trien-2-yl]amino]methyl]-2-propylcyclohepta-1,4,6-trien-1-amine
CID 143342506
(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine
CID 143342840
ethenamine;(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-[(4Z)-3-[(E)-4-methyliminobut-2-en-2-yl]iminohexa-1,4-dien-2-yl]octa-2,4-dien-1-amine;2-methylprop-1-ene
CID 143343272

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine?
The IUPAC name of ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine (CID 143345098) is ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine.
What is the SMILES notation for ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine?
The canonical SMILES for ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine is C/C=C\CCCCCN.C=CC1=C(/C=C(\C)CNC(=C)C2=NCC=NC(CC(=C)NC/C(C)=C/C)=C2C)NC(=C)CC1.CC.CC.
What is the InChIKey of ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine?
The InChIKey is AEQKHRLJWNFYAF-FEQWJVSOSA-N. The full InChI is InChI=1S/C28H39N5.C8H17N.2C2H6/c1-9-19(3)17-31-22(6)16-26-23(7)28(30-14-13-29-26)24(8)32-18-20(4)15-27-25(10-2)12-11-21(5)33-27;1-2-3-4-5-6-7-8-9;2*1-2/h9-10,13,15,31-33H,2,5-6,8,11-12,14,16-18H2,1,3-4,7H3;2-3H,4-9H2,1H3;2*1-2H3/b19-9+,20-15+;3-2-;;.
What are the key properties of ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine?
ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine has a molecular weight of 633.03 g/mol, XLogP of 9.77, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine is sourced from PubChem (CID 143345098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).