N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine

C19H37N — CID 123773852

IUPACN,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine
SMILESC=CC(C)(C)CC=C(C)C(CCCC(C)CCC)NC
InChIInChI=1S/C19H37N/c1-8-11-16(3)12-10-13-18(20-7)17(4)14-15-19(5,6)9-2/h9,14,16,18,20H,2,8,10-13,15H2,1,3-7H3
InChIKeySSZLOTVEBOGYBJ-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.73
Rot. Bonds11

About N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine

N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine (PubChem CID 123773852) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine.

Molecular Properties

Compound NameN,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine
PubChem CID123773852
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine
SMILESC=CC(C)(C)CC=C(C)C(CCCC(C)CCC)NC
InChIInChI=1S/C19H37N/c1-8-11-16(3)12-10-13-18(20-7)17(4)14-15-19(5,6)9-2/h9,14,16,18,20H,2,8,10-13,15H2,1,3-7H3
InChIKeySSZLOTVEBOGYBJ-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
CID 123194306
N-[(2-ethenyl-4-ethyl-5-fluoro-4-pentylcyclohept-2-en-1-yl)methyl]-2,3,8-trimethyl-7-propylcyclooct-2-en-1-amine
CID 123673126
N-[(4-butyl-2-ethenyl-5-fluoro-4-methylcycloheptyl)methyl]-2,4,4,7-tetramethylbicyclo[3.3.2]dec-1-en-3-amine
CID 123777948
5-butyl-N-[(7-butyl-7-ethenyl-5-ethyl-4-fluoro-5-methylcyclohept-2-en-1-yl)methyl]-4-ethylcyclohepta-2,5-dien-1-amine
CID 123780514
5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine
CID 123908512
(2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine
CID 130370887
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705

Frequently Asked Questions

What is the IUPAC name of N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine?
The IUPAC name of N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine (CID 123773852) is N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine.
What is the SMILES notation for N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine?
The canonical SMILES for N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine is C=CC(C)(C)CC=C(C)C(CCCC(C)CCC)NC.
What is the InChIKey of N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine?
The InChIKey is SSZLOTVEBOGYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-8-11-16(3)12-10-13-18(20-7)17(4)14-15-19(5,6)9-2/h9,14,16,18,20H,2,8,10-13,15H2,1,3-7H3.
What are the key properties of N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine?
N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine has a molecular weight of 279.51 g/mol, XLogP of 5.73, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3,6,11-pentamethyltetradeca-1,5-dien-7-amine is sourced from PubChem (CID 123773852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).