7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine

C20H39N3 — CID 123959167

IUPAC7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine
SMILESC=C(CCCC(=CC)C(NC(N)C(C)C)C(C)C=CC)CNC
InChIInChI=1S/C20H39N3/c1-8-11-17(6)19(23-20(21)15(3)4)18(9-2)13-10-12-16(5)14-22-7/h8-9,11,15,17,19-20,22-23H,5,10,12-14,21H2,1-4,6-7H3
InChIKeyXZRSBPOXAQWKFU-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.99
Rot. Bonds12

About 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine

7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine (PubChem CID 123959167) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine.

Molecular Properties

Compound Name7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine
PubChem CID123959167
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine
SMILESC=C(CCCC(=CC)C(NC(N)C(C)C)C(C)C=CC)CNC
InChIInChI=1S/C20H39N3/c1-8-11-17(6)19(23-20(21)15(3)4)18(9-2)13-10-12-16(5)14-22-7/h8-9,11,15,17,19-20,22-23H,5,10,12-14,21H2,1-4,6-7H3
InChIKeyXZRSBPOXAQWKFU-UHFFFAOYSA-N
XLogP3.99
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine 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

4-[2,6-Bis(2-methyl-2-propen-1-yl)-1,2,3,6-tetrahydro-4-pyridinyl]-1,6-heptadien-4-amine
CID 5018062
6-[6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine
CID 123269892
(3Z)-4-N',6-diethyl-3-[[2-fluoro-4-(5-fluorooctan-4-yl)cyclohexyl]methylidene]-5-methylnon-8-ene-4,4-diamine
CID 134423406
N'-[1-[2-(4-fluoro-5-methylcyclohex-2-en-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]butyl]-N-methylmethanediamine
CID 144602079
(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
CID 134999587
N-[[4-(1-aminoethyl)cyclohex-3-en-1-yl]methyl]-3-fluoro-3-methylhexan-1-amine
CID 144703296
4-[(2S,6S)-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine
CID 7707966
N-(2,7-Dimethyl-1,7-octadien-3-yl)-2,7-dimethyl-2,7-octadien-1-amine
CID 5366167
N-ethyl-4-methyloctadec-11-en-3-amine
CID 54151698
(9E)-2-methyl-1-azacycloheptadec-9-ene;9-(3-methylbutyl)-azacycloheptadecane
CID 67722436
2-Methyl-1-azacycloheptadec-9-ene;9-(3-methylbutyl)-azacycloheptadecane
CID 67722438
5-methyl-2-propan-2-yl-N-prop-2-enylcyclohex-2-en-1-amine
CID 68130660

Frequently Asked Questions

What is the IUPAC name of 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine?
The IUPAC name of 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine (CID 123959167) is 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine.
What is the SMILES notation for 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine?
The canonical SMILES for 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine is C=C(CCCC(=CC)C(NC(N)C(C)C)C(C)C=CC)CNC.
What is the InChIKey of 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine?
The InChIKey is XZRSBPOXAQWKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-8-11-17(6)19(23-20(21)15(3)4)18(9-2)13-10-12-16(5)14-22-7/h8-9,11,15,17,19-20,22-23H,5,10,12-14,21H2,1-4,6-7H3.
What are the key properties of 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine?
7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine has a molecular weight of 321.55 g/mol, XLogP of 3.99, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine is sourced from PubChem (CID 123959167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).