N-(1-cyclopropylbut-3-enyl)decan-1-amine

C17H33N — CID 54426719

IUPACN-(1-cyclopropylbut-3-enyl)decan-1-amine
SMILESC=CCC(NCCCCCCCCCC)C1CC1
InChIInChI=1S/C17H33N/c1-3-5-6-7-8-9-10-11-15-18-17(12-4-2)16-13-14-16/h4,16-18H,2-3,5-15H2,1H3
InChIKeyOMEFSQRXSXMHQL-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.07
Rot. Bonds13

About N-(1-cyclopropylbut-3-enyl)decan-1-amine

N-(1-cyclopropylbut-3-enyl)decan-1-amine (PubChem CID 54426719) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-(1-cyclopropylbut-3-enyl)decan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbut-3-enyl)decan-1-amine
PubChem CID54426719
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-(1-cyclopropylbut-3-enyl)decan-1-amine
SMILESC=CCC(NCCCCCCCCCC)C1CC1
InChIInChI=1S/C17H33N/c1-3-5-6-7-8-9-10-11-15-18-17(12-4-2)16-13-14-16/h4,16-18H,2-3,5-15H2,1H3
InChIKeyOMEFSQRXSXMHQL-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbut-3-enyl)decan-1-amine?
The IUPAC name of N-(1-cyclopropylbut-3-enyl)decan-1-amine (CID 54426719) is N-(1-cyclopropylbut-3-enyl)decan-1-amine.
What is the SMILES notation for N-(1-cyclopropylbut-3-enyl)decan-1-amine?
The canonical SMILES for N-(1-cyclopropylbut-3-enyl)decan-1-amine is C=CCC(NCCCCCCCCCC)C1CC1.
What is the InChIKey of N-(1-cyclopropylbut-3-enyl)decan-1-amine?
The InChIKey is OMEFSQRXSXMHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-5-6-7-8-9-10-11-15-18-17(12-4-2)16-13-14-16/h4,16-18H,2-3,5-15H2,1H3.
What are the key properties of N-(1-cyclopropylbut-3-enyl)decan-1-amine?
N-(1-cyclopropylbut-3-enyl)decan-1-amine has a molecular weight of 251.46 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-(1-cyclopropylbut-3-enyl)decan-1-amine is sourced from PubChem (CID 54426719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).