N,12-dimethylpentadecan-1-amine

C17H37N — CID 174486923

IUPACN,12-dimethylpentadecan-1-amine
SMILESCCCC(C)CCCCCCCCCCCNC
InChIInChI=1S/C17H37N/c1-4-14-17(2)15-12-10-8-6-5-7-9-11-13-16-18-3/h17-18H,4-16H2,1-3H3
InChIKeyWKHNKMPVPQAHBL-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.54
Rot. Bonds14

About N,12-dimethylpentadecan-1-amine

N,12-dimethylpentadecan-1-amine (PubChem CID 174486923) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N,12-dimethylpentadecan-1-amine.

Molecular Properties

Compound NameN,12-dimethylpentadecan-1-amine
PubChem CID174486923
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN,12-dimethylpentadecan-1-amine
SMILESCCCC(C)CCCCCCCCCCCNC
InChIInChI=1S/C17H37N/c1-4-14-17(2)15-12-10-8-6-5-7-9-11-13-16-18-3/h17-18H,4-16H2,1-3H3
InChIKeyWKHNKMPVPQAHBL-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.54
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

N,5-dimethyloctan-1-amine;ethane;molecular hydrogen
CID 142588186
(5R)-N,5-dimethylnonan-1-amine
CID 130290865
N,3-dimethylnonan-1-amine
CID 81019354
N,3,6-trimethylnonan-1-amine
CID 139316935
2,9,13-trimethylhexadecane
CID 123827297
4-methyloctadecane
CID 517866
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
(4R)-4-methyldecane
CID 57191620
4-methyltritriacontane
CID 71346224
4,13-dimethylheptadecane
CID 6430494
(4R)-4-methylpentadecane
CID 98062361

Frequently Asked Questions

What is the IUPAC name of N,12-dimethylpentadecan-1-amine?
The IUPAC name of N,12-dimethylpentadecan-1-amine (CID 174486923) is N,12-dimethylpentadecan-1-amine.
What is the SMILES notation for N,12-dimethylpentadecan-1-amine?
The canonical SMILES for N,12-dimethylpentadecan-1-amine is CCCC(C)CCCCCCCCCCCNC.
What is the InChIKey of N,12-dimethylpentadecan-1-amine?
The InChIKey is WKHNKMPVPQAHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-4-14-17(2)15-12-10-8-6-5-7-9-11-13-16-18-3/h17-18H,4-16H2,1-3H3.
What are the key properties of N,12-dimethylpentadecan-1-amine?
N,12-dimethylpentadecan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.54, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,12-dimethylpentadecan-1-amine is sourced from PubChem (CID 174486923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).