9-methoxypentadecan-2-amine

C16H35NO — CID 89335213

IUPAC9-methoxypentadecan-2-amine
SMILESCCCCCCC(CCCCCCC(C)N)OC
InChIInChI=1S/C16H35NO/c1-4-5-6-10-13-16(18-3)14-11-8-7-9-12-15(2)17/h15-16H,4-14,17H2,1-3H3
InChIKeySJCRKGFILASNAM-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.66
Rot. Bonds13

About 9-methoxypentadecan-2-amine

9-methoxypentadecan-2-amine (PubChem CID 89335213) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 9-methoxypentadecan-2-amine.

Molecular Properties

Compound Name9-methoxypentadecan-2-amine
PubChem CID89335213
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name9-methoxypentadecan-2-amine
SMILESCCCCCCC(CCCCCCC(C)N)OC
InChIInChI=1S/C16H35NO/c1-4-5-6-10-13-16(18-3)14-11-8-7-9-12-15(2)17/h15-16H,4-14,17H2,1-3H3
InChIKeySJCRKGFILASNAM-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
tetradecan-2-amine;hydrobromide
CID 175070931
(5S)-5-methoxyundecane
CID 118889956
dodecan-2-amine;hydrochloride
CID 86195878
nonadecane-2,14-diamine
CID 89095951
4-methoxy-2-methyltridecane
CID 150137637
6-methylnonadecan-2-amine
CID 54497673
dodecan-1-amine;dodecan-2-amine
CID 88815564
(4S)-4-methoxyundecan-1-ol
CID 53329455
12-methoxyoctadecan-1-ol
CID 18347175

Frequently Asked Questions

What is the IUPAC name of 9-methoxypentadecan-2-amine?
The IUPAC name of 9-methoxypentadecan-2-amine (CID 89335213) is 9-methoxypentadecan-2-amine.
What is the SMILES notation for 9-methoxypentadecan-2-amine?
The canonical SMILES for 9-methoxypentadecan-2-amine is CCCCCCC(CCCCCCC(C)N)OC.
What is the InChIKey of 9-methoxypentadecan-2-amine?
The InChIKey is SJCRKGFILASNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-4-5-6-10-13-16(18-3)14-11-8-7-9-12-15(2)17/h15-16H,4-14,17H2,1-3H3.
What are the key properties of 9-methoxypentadecan-2-amine?
9-methoxypentadecan-2-amine has a molecular weight of 257.46 g/mol, XLogP of 4.66, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxypentadecan-2-amine is sourced from PubChem (CID 89335213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).