N-propan-2-ylicosan-1-amine

C23H49N — CID 87246132

IUPACN-propan-2-ylicosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCNC(C)C
InChIInChI=1S/C23H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2)3/h23-24H,4-22H2,1-3H3
InChIKeyBLVLMQTZJVEFEJ-UHFFFAOYSA-N
MW339.65 g/mol
LogP8.03
Rot. Bonds20

About N-propan-2-ylicosan-1-amine

N-propan-2-ylicosan-1-amine (PubChem CID 87246132) has the molecular formula C23H49N and a molecular weight of 339.65 g/mol. Its IUPAC name is N-propan-2-ylicosan-1-amine.

Molecular Properties

Compound NameN-propan-2-ylicosan-1-amine
PubChem CID87246132
Molecular FormulaC23H49N
Molecular Weight339.65 g/mol
Exact Mass339.39
IUPAC NameN-propan-2-ylicosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCNC(C)C
InChIInChI=1S/C23H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2)3/h23-24H,4-22H2,1-3H3
InChIKeyBLVLMQTZJVEFEJ-UHFFFAOYSA-N
XLogP8.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 58.03
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-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
N-propan-2-ylbutan-1-amine chloride
CID 19629099
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
CID 21412290
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
1-N'-nonylethane-1,1-diamine
CID 141374358
(1S)-1-(hexylamino)ethanethiol
CID 142113099
N-butan-2-yldodecan-1-amine
CID 63489622
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
N-butan-2-ylundecan-1-amine
CID 151961423

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylicosan-1-amine?
The IUPAC name of N-propan-2-ylicosan-1-amine (CID 87246132) is N-propan-2-ylicosan-1-amine.
What is the SMILES notation for N-propan-2-ylicosan-1-amine?
The canonical SMILES for N-propan-2-ylicosan-1-amine is CCCCCCCCCCCCCCCCCCCCNC(C)C.
What is the InChIKey of N-propan-2-ylicosan-1-amine?
The InChIKey is BLVLMQTZJVEFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2)3/h23-24H,4-22H2,1-3H3.
What are the key properties of N-propan-2-ylicosan-1-amine?
N-propan-2-ylicosan-1-amine has a molecular weight of 339.65 g/mol, XLogP of 8.03, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylicosan-1-amine is sourced from PubChem (CID 87246132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).