N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine

C20H39N — CID 123746640

IUPACN,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine
SMILESCC=CC=C(CCC)CCCC(CC(C)CCC)N(C)C
InChIInChI=1S/C20H39N/c1-7-10-14-19(13-9-3)15-11-16-20(21(5)6)17-18(4)12-8-2/h7,10,14,18,20H,8-9,11-13,15-17H2,1-6H3
InChIKeyYLQHSVXLORVPSZ-UHFFFAOYSA-N
MW293.54 g/mol
LogP6.22
Rot. Bonds12

About N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine

N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine (PubChem CID 123746640) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine
PubChem CID123746640
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine
SMILESCC=CC=C(CCC)CCCC(CC(C)CCC)N(C)C
InChIInChI=1S/C20H39N/c1-7-10-14-19(13-9-3)15-11-16-20(21(5)6)17-18(4)12-8-2/h7,10,14,18,20H,8-9,11-13,15-17H2,1-6H3
InChIKeyYLQHSVXLORVPSZ-UHFFFAOYSA-N
XLogP6.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-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
N-(7-cyclobutyl-3-ethenyl-1,1-difluoronona-4,6-dien-2-yl)-N,5-diethylcyclohept-3-en-1-amine
CID 91475343
(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine
CID 137467773
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
2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine
CID 174279346
(4S)-5-ethyl-1-[3-(1-fluoroethenyl)cyclohepta-1,2,4,6-tetraen-1-yl]-4-(2-fluoroethyl)-2-methyl-N,N-dipropylnon-8-en-4-amine
CID 174279458
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 N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine?
The IUPAC name of N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine (CID 123746640) is N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine.
What is the SMILES notation for N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine?
The canonical SMILES for N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine is CC=CC=C(CCC)CCCC(CC(C)CCC)N(C)C.
What is the InChIKey of N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine?
The InChIKey is YLQHSVXLORVPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-7-10-14-19(13-9-3)15-11-16-20(21(5)6)17-18(4)12-8-2/h7,10,14,18,20H,8-9,11-13,15-17H2,1-6H3.
What are the key properties of N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine?
N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine has a molecular weight of 293.54 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine is sourced from PubChem (CID 123746640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).