(2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine

C17H28N2 — CID 171083671

IUPAC(2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C(C(\C)=C(C)\N=C\C)/C(C)C)CNC
InChIInChI=1S/C17H28N2/c1-8-16(12-18-7)10-11-17(13(3)4)14(5)15(6)19-9-2/h8-11,13,18H,1,12H2,2-7H3/b15-14+,16-10+,17-11+,19-9+
InChIKeyLZFVLNYYJZMQSJ-BEZBXPEFSA-N
MW260.42 g/mol
LogP4.29
Rot. Bonds7

About (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine

(2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine (PubChem CID 171083671) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine
PubChem CID171083671
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name(2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C(C(\C)=C(C)\N=C\C)/C(C)C)CNC
InChIInChI=1S/C17H28N2/c1-8-16(12-18-7)10-11-17(13(3)4)14(5)15(6)19-9-2/h8-11,13,18H,1,12H2,2-7H3/b15-14+,16-10+,17-11+,19-9+
InChIKeyLZFVLNYYJZMQSJ-BEZBXPEFSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-ethenylidene-3-fluoro-10-imino-N,7-dimethyl-8-(2-methyl-3-methylidenecyclohexa-1,5-dien-1-yl)deca-3,5,8-trien-1-amine
CID 123248104
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
(4E)-N-[(1E)-2-fluoro-1-[[(Z)-4-methyliminobut-2-enylidene]amino]buta-1,3-dienyl]-5,7-dimethyl-3-methylideneocta-1,4-dien-2-amine
CID 173942693
(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
CID 89390271
N-[1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]-3-iminopropan-1-amine
CID 90048178
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013
5-(1,2,5,7-tetramethyl-5,6-dihydro-2H-1,3-diazocin-8-yl)hexa-2,4-dien-1-amine
CID 123880623
(3Z,6E)-7-(ethylideneamino)-N,6-dimethyl-2,5-dimethylidenehepta-3,6-dien-1-amine
CID 138480695
ethane;(1E,4Z,6Z)-3-[2-methanimidoyl-4-(7-methyl-3H-azepin-6-yl)butylidene]-N-methylocta-1,4,6-trien-1-amine
CID 142939288
Ethane;[4-ethyl-3-(ethylideneamino)cyclohepta-1,3,6-trien-1-yl]methanamine
CID 143346533
(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine
CID 146359455
N-[(1E)-2-ethenyl-3-methyl-4-[(3Z)-3-pent-4-enylidene-1,2-dihydropyrrol-4-yl]penta-1,4-dienyl]ethanimine
CID 146429416

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine (CID 171083671) is (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine is C=C/C(=C\C=C(C(\C)=C(C)\N=C\C)/C(C)C)CNC.
What is the InChIKey of (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine?
The InChIKey is LZFVLNYYJZMQSJ-BEZBXPEFSA-N. The full InChI is InChI=1S/C17H28N2/c1-8-16(12-18-7)10-11-17(13(3)4)14(5)15(6)19-9-2/h8-11,13,18H,1,12H2,2-7H3/b15-14+,16-10+,17-11+,19-9+.
What are the key properties of (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine?
(2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine has a molecular weight of 260.42 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-2-ethenyl-7-(ethylideneamino)-N,6-dimethyl-5-propan-2-ylocta-2,4,6-trien-1-amine is sourced from PubChem (CID 171083671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).