N,3,7,11-tetramethylhexadec-1-en-1-amine

C20H41N — CID 90980134

IUPACN,3,7,11-tetramethylhexadec-1-en-1-amine
SMILESCCCCCC(C)CCCC(C)CCCC(C)C=CNC
InChIInChI=1S/C20H41N/c1-6-7-8-11-18(2)12-9-13-19(3)14-10-15-20(4)16-17-21-5/h16-21H,6-15H2,1-5H3
InChIKeyPSSIZOQTNWUEJJ-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.55
Rot. Bonds14

About N,3,7,11-tetramethylhexadec-1-en-1-amine

N,3,7,11-tetramethylhexadec-1-en-1-amine (PubChem CID 90980134) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N,3,7,11-tetramethylhexadec-1-en-1-amine.

Molecular Properties

Compound NameN,3,7,11-tetramethylhexadec-1-en-1-amine
PubChem CID90980134
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN,3,7,11-tetramethylhexadec-1-en-1-amine
SMILESCCCCCC(C)CCCC(C)CCCC(C)C=CNC
InChIInChI=1S/C20H41N/c1-6-7-8-11-18(2)12-9-13-19(3)14-10-15-20(4)16-17-21-5/h16-21H,6-15H2,1-5H3
InChIKeyPSSIZOQTNWUEJJ-UHFFFAOYSA-N
XLogP6.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl-i-octenylamine
CID 90284756
N-isoamylnonenylamine
CID 129775827
N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine
CID 170847923
Diisoamylnonenylamine
CID 129775771
16-Methylheptadec-1-en-1-amine
CID 170848344
(E)-N-[(E)-dec-1-enyl]dec-1-en-1-amine
CID 14455017
(E)-N-[(E)-triacont-1-enyl]triacont-1-en-1-amine
CID 20141239
(E)-N-[(E)-octadec-1-enyl]octadec-1-en-1-amine
CID 20143950
(E)-N-methyloctadec-1-en-1-amine
CID 20197111
(E)-N-methylpentadec-1-en-1-amine
CID 20203809
4-Hexyl-1,4-dihydropyridine
CID 20549691
(E)-N-[(E)-docos-1-enyl]docos-1-en-1-amine
CID 22416671

Frequently Asked Questions

What is the IUPAC name of N,3,7,11-tetramethylhexadec-1-en-1-amine?
The IUPAC name of N,3,7,11-tetramethylhexadec-1-en-1-amine (CID 90980134) is N,3,7,11-tetramethylhexadec-1-en-1-amine.
What is the SMILES notation for N,3,7,11-tetramethylhexadec-1-en-1-amine?
The canonical SMILES for N,3,7,11-tetramethylhexadec-1-en-1-amine is CCCCCC(C)CCCC(C)CCCC(C)C=CNC.
What is the InChIKey of N,3,7,11-tetramethylhexadec-1-en-1-amine?
The InChIKey is PSSIZOQTNWUEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-6-7-8-11-18(2)12-9-13-19(3)14-10-15-20(4)16-17-21-5/h16-21H,6-15H2,1-5H3.
What are the key properties of N,3,7,11-tetramethylhexadec-1-en-1-amine?
N,3,7,11-tetramethylhexadec-1-en-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.55, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,7,11-tetramethylhexadec-1-en-1-amine is sourced from PubChem (CID 90980134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).