2-(cyclopropylmethylidene)-N-ethylbutan-1-amine

C10H19N — CID 79329303

IUPAC2-(cyclopropylmethylidene)-N-ethylbutan-1-amine
SMILESCCNCC(=CC1CC1)CC
InChIInChI=1S/C10H19N/c1-3-9(8-11-4-2)7-10-5-6-10/h7,10-11H,3-6,8H2,1-2H3
InChIKeyOIMMEOFNTKPMDO-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds5

About 2-(cyclopropylmethylidene)-N-ethylbutan-1-amine

2-(cyclopropylmethylidene)-N-ethylbutan-1-amine (PubChem CID 79329303) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-(cyclopropylmethylidene)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethylidene)-N-ethylbutan-1-amine
PubChem CID79329303
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-(cyclopropylmethylidene)-N-ethylbutan-1-amine
SMILESCCNCC(=CC1CC1)CC
InChIInChI=1S/C10H19N/c1-3-9(8-11-4-2)7-10-5-6-10/h7,10-11H,3-6,8H2,1-2H3
InChIKeyOIMMEOFNTKPMDO-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylidene)-N-ethylbutan-1-amine?
The IUPAC name of 2-(cyclopropylmethylidene)-N-ethylbutan-1-amine (CID 79329303) is 2-(cyclopropylmethylidene)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethylidene)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(cyclopropylmethylidene)-N-ethylbutan-1-amine is CCNCC(=CC1CC1)CC.
What is the InChIKey of 2-(cyclopropylmethylidene)-N-ethylbutan-1-amine?
The InChIKey is OIMMEOFNTKPMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-9(8-11-4-2)7-10-5-6-10/h7,10-11H,3-6,8H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylidene)-N-ethylbutan-1-amine?
2-(cyclopropylmethylidene)-N-ethylbutan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylidene)-N-ethylbutan-1-amine is sourced from PubChem (CID 79329303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).