2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine

C11H21N — CID 79339426

IUPAC2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(=CC1CC1)C(C)C
InChIInChI=1S/C11H21N/c1-4-12-8-11(9(2)3)7-10-5-6-10/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyUZRAOXOESRVSIN-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds5

About 2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine

2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine (PubChem CID 79339426) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine
PubChem CID79339426
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(=CC1CC1)C(C)C
InChIInChI=1S/C11H21N/c1-4-12-8-11(9(2)3)7-10-5-6-10/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyUZRAOXOESRVSIN-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
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-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine (CID 79339426) is 2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine is CCNCC(=CC1CC1)C(C)C.
What is the InChIKey of 2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is UZRAOXOESRVSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-12-8-11(9(2)3)7-10-5-6-10/h7,9-10,12H,4-6,8H2,1-3H3.
What are the key properties of 2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine?
2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 79339426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).