N-methylpentadec-1-en-8-amine

C16H33N — CID 107011425

IUPACN-methylpentadec-1-en-8-amine
SMILESC=CCCCCCC(CCCCCCC)NC
InChIInChI=1S/C16H33N/c1-4-6-8-10-12-14-16(17-3)15-13-11-9-7-5-2/h4,16-17H,1,5-15H2,2-3H3
InChIKeyVTNBGOWBYJRQAT-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.07
Rot. Bonds13

About N-methylpentadec-1-en-8-amine

N-methylpentadec-1-en-8-amine (PubChem CID 107011425) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-methylpentadec-1-en-8-amine.

Molecular Properties

Compound NameN-methylpentadec-1-en-8-amine
PubChem CID107011425
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-methylpentadec-1-en-8-amine
SMILESC=CCCCCCC(CCCCCCC)NC
InChIInChI=1S/C16H33N/c1-4-6-8-10-12-14-16(17-3)15-13-11-9-7-5-2/h4,16-17H,1,5-15H2,2-3H3
InChIKeyVTNBGOWBYJRQAT-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
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-methylheptadecan-9-amine;hydrochloride
CID 175813537
9-bromooctadec-1-ene
CID 167439794
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
N-methylundecan-4-amine
CID 60996531
N-octadec-1-en-9-ylazetidin-1-amine
CID 22447250
ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene
CID 142059392
octadecane;octadec-1-ene
CID 162018238
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514

Frequently Asked Questions

What is the IUPAC name of N-methylpentadec-1-en-8-amine?
The IUPAC name of N-methylpentadec-1-en-8-amine (CID 107011425) is N-methylpentadec-1-en-8-amine.
What is the SMILES notation for N-methylpentadec-1-en-8-amine?
The canonical SMILES for N-methylpentadec-1-en-8-amine is C=CCCCCCC(CCCCCCC)NC.
What is the InChIKey of N-methylpentadec-1-en-8-amine?
The InChIKey is VTNBGOWBYJRQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-6-8-10-12-14-16(17-3)15-13-11-9-7-5-2/h4,16-17H,1,5-15H2,2-3H3.
What are the key properties of N-methylpentadec-1-en-8-amine?
N-methylpentadec-1-en-8-amine has a molecular weight of 239.45 g/mol, XLogP of 5.07, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpentadec-1-en-8-amine is sourced from PubChem (CID 107011425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).