1-cyclopropylbutan-1-amine

C7H15N — CID 3671224

IUPAC1-cyclopropylbutan-1-amine
SMILESCCCC(N)C1CC1
InChIInChI=1S/C7H15N/c1-2-3-7(8)6-4-5-6/h6-7H,2-5,8H2,1H3
InChIKeyXZJXCIIRPKKGTH-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.52
Rot. Bonds3

About 1-cyclopropylbutan-1-amine

1-cyclopropylbutan-1-amine (PubChem CID 3671224) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 1-cyclopropylbutan-1-amine.

Molecular Properties

Compound Name1-cyclopropylbutan-1-amine
PubChem CID3671224
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name1-cyclopropylbutan-1-amine
SMILESCCCC(N)C1CC1
InChIInChI=1S/C7H15N/c1-2-3-7(8)6-4-5-6/h6-7H,2-5,8H2,1H3
InChIKeyXZJXCIIRPKKGTH-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylbutan-1-amine?
The IUPAC name of 1-cyclopropylbutan-1-amine (CID 3671224) is 1-cyclopropylbutan-1-amine.
What is the SMILES notation for 1-cyclopropylbutan-1-amine?
The canonical SMILES for 1-cyclopropylbutan-1-amine is CCCC(N)C1CC1.
What is the InChIKey of 1-cyclopropylbutan-1-amine?
The InChIKey is XZJXCIIRPKKGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-2-3-7(8)6-4-5-6/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-cyclopropylbutan-1-amine?
1-cyclopropylbutan-1-amine has a molecular weight of 113.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylbutan-1-amine is sourced from PubChem (CID 3671224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).