hexadecan-1-amine;propan-2-one

C19H41NO — CID 175396285

IUPAChexadecan-1-amine;propan-2-one
SMILESCC(C)=O.CCCCCCCCCCCCCCCCN
InChIInChI=1S/C16H35N.C3H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3(2)4/h2-17H2,1H3;1-2H3
InChIKeyYSPBBIGADQESLL-UHFFFAOYSA-N
MW299.54 g/mol
LogP6.02
Rot. Bonds14

About hexadecan-1-amine;propan-2-one

hexadecan-1-amine;propan-2-one (PubChem CID 175396285) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is hexadecan-1-amine;propan-2-one.

Molecular Properties

Compound Namehexadecan-1-amine;propan-2-one
PubChem CID175396285
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Namehexadecan-1-amine;propan-2-one
SMILESCC(C)=O.CCCCCCCCCCCCCCCCN
InChIInChI=1S/C16H35N.C3H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3(2)4/h2-17H2,1H3;1-2H3
InChIKeyYSPBBIGADQESLL-UHFFFAOYSA-N
XLogP6.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 56.02
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

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dodecan-1-amine;hydroxylamine
CID 175960605
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octan-1-amine;propanoic acid
CID 87949597
tetracosan-1-amine;hydrobromide
CID 175600580

Frequently Asked Questions

What is the IUPAC name of hexadecan-1-amine;propan-2-one?
The IUPAC name of hexadecan-1-amine;propan-2-one (CID 175396285) is hexadecan-1-amine;propan-2-one.
What is the SMILES notation for hexadecan-1-amine;propan-2-one?
The canonical SMILES for hexadecan-1-amine;propan-2-one is CC(C)=O.CCCCCCCCCCCCCCCCN.
What is the InChIKey of hexadecan-1-amine;propan-2-one?
The InChIKey is YSPBBIGADQESLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C3H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3(2)4/h2-17H2,1H3;1-2H3.
What are the key properties of hexadecan-1-amine;propan-2-one?
hexadecan-1-amine;propan-2-one has a molecular weight of 299.54 g/mol, XLogP of 6.02, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-1-amine;propan-2-one is sourced from PubChem (CID 175396285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).