(5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine

C21H35N — CID 130441282

IUPAC(5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine
SMILESCCC(C[C@@H](C/C=C\C=C(C)C)C1=CC=CCC1C)N(C)C
InChIInChI=1S/C21H35N/c1-7-20(22(5)6)16-19(14-10-8-12-17(2)3)21-15-11-9-13-18(21)4/h8-12,15,18-20H,7,13-14,16H2,1-6H3/b10-8-/t18?,19-,20?/m1/s1
InChIKeyWHPGIUCCDCWXBI-JVYSGEOZSA-N
MW301.52 g/mol
LogP5.77
Rot. Bonds8

About (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine

(5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine (PubChem CID 130441282) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine.

Molecular Properties

Compound Name(5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine
PubChem CID130441282
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name(5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine
SMILESCCC(C[C@@H](C/C=C\C=C(C)C)C1=CC=CCC1C)N(C)C
InChIInChI=1S/C21H35N/c1-7-20(22(5)6)16-19(14-10-8-12-17(2)3)21-15-11-9-13-18(21)4/h8-12,15,18-20H,7,13-14,16H2,1-6H3/b10-8-/t18?,19-,20?/m1/s1
InChIKeyWHPGIUCCDCWXBI-JVYSGEOZSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-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

Dioleylpropyl trimethylammonium chloride
CID 129829602
1,2-dilinoleyl-N,N-dimethyl-3-aminopropane
CID 139600217
1-fluoro-N-(2-methylpentyl)-N-nonylcyclohexa-2,4-dien-1-amine
CID 23123042
N-(7-cyclobutyl-3-ethenyl-1,1-difluoronona-4,6-dien-2-yl)-N,5-diethylcyclohept-3-en-1-amine
CID 91475343
(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine
CID 137467773
(2E,4E)-1-[2,4-dimethyl-5-[(3Z)-5-methylhexa-1,3-dien-2-yl]cyclohexyl]-8-ethyl-N-fluoro-N,3-dimethylundeca-2,4-dien-6-amine
CID 142548528
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine
CID 145351260
N-[1-(2-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethyl]-N-propylpropan-1-amine
CID 168231891
N-(6-fluorooctan-4-yl)-N-methyl-11-methylidene-7-propyltridec-12-en-6-amine
CID 170075652
(1R)-1-cyclohexyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine
CID 11031295
1-(2,7-Dimethyl-2,7-octa-dienyl)-2,5-diisopropenylpiperidine
CID 85907075
2,3-Dihydro-2-azasqualene
CID 129725423

Frequently Asked Questions

What is the IUPAC name of (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine?
The IUPAC name of (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine (CID 130441282) is (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine.
What is the SMILES notation for (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine?
The canonical SMILES for (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine is CCC(C[C@@H](C/C=C\C=C(C)C)C1=CC=CCC1C)N(C)C.
What is the InChIKey of (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine?
The InChIKey is WHPGIUCCDCWXBI-JVYSGEOZSA-N. The full InChI is InChI=1S/C21H35N/c1-7-20(22(5)6)16-19(14-10-8-12-17(2)3)21-15-11-9-13-18(21)4/h8-12,15,18-20H,7,13-14,16H2,1-6H3/b10-8-/t18?,19-,20?/m1/s1.
What are the key properties of (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine?
(5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine has a molecular weight of 301.52 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine is sourced from PubChem (CID 130441282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).