N,N-dimethylpentadec-9-en-6-amine

C17H35N — CID 170848022

IUPACN,N-dimethylpentadec-9-en-6-amine
SMILESCCCCCC=CCCC(CCCCC)N(C)C
InChIInChI=1S/C17H35N/c1-5-7-9-10-11-12-14-16-17(18(3)4)15-13-8-6-2/h11-12,17H,5-10,13-16H2,1-4H3
InChIKeyMSOSTOQZCSTBIW-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.41
Rot. Bonds12

About N,N-dimethylpentadec-9-en-6-amine

N,N-dimethylpentadec-9-en-6-amine (PubChem CID 170848022) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N,N-dimethylpentadec-9-en-6-amine.

Molecular Properties

Compound NameN,N-dimethylpentadec-9-en-6-amine
PubChem CID170848022
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN,N-dimethylpentadec-9-en-6-amine
SMILESCCCCCC=CCCC(CCCCC)N(C)C
InChIInChI=1S/C17H35N/c1-5-7-9-10-11-12-14-16-17(18(3)4)15-13-8-6-2/h11-12,17H,5-10,13-16H2,1-4H3
InChIKeyMSOSTOQZCSTBIW-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethyl-9-octadecen-1-amine-N-oxide
CID 6435847
Oleyldimethylamine
CID 5357010
Oleyltrimethylammonium chloride
CID 6436370
13-Docosen-1-amine, N,N-dimethyl-, (13Z)-
CID 87068691
9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)
CID 22958
Ethyldimethyl-oleylammonium bromide
CID 6433482
Ethyldimethyl-9-octadecenylammonium bromide
CID 20838111
Octadecen-1-amine, N,N-dimethyl-
CID 119807
Dioleyldimethylammonium chloride
CID 6436349
(9Z)-N-Methyl-N-(9Z)-9-octadecenyl-9-octadecen-1-amine
CID 15706419
Villatamine B
CID 10106828
(Z)-N,N-dimethyloctadec-9-en-1-amine oxide
CID 61735

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpentadec-9-en-6-amine?
The IUPAC name of N,N-dimethylpentadec-9-en-6-amine (CID 170848022) is N,N-dimethylpentadec-9-en-6-amine.
What is the SMILES notation for N,N-dimethylpentadec-9-en-6-amine?
The canonical SMILES for N,N-dimethylpentadec-9-en-6-amine is CCCCCC=CCCC(CCCCC)N(C)C.
What is the InChIKey of N,N-dimethylpentadec-9-en-6-amine?
The InChIKey is MSOSTOQZCSTBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-7-9-10-11-12-14-16-17(18(3)4)15-13-8-6-2/h11-12,17H,5-10,13-16H2,1-4H3.
What are the key properties of N,N-dimethylpentadec-9-en-6-amine?
N,N-dimethylpentadec-9-en-6-amine has a molecular weight of 253.47 g/mol, XLogP of 5.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpentadec-9-en-6-amine is sourced from PubChem (CID 170848022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).