1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine

C13H23N — CID 89107543

IUPAC1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine
SMILESC=CCC(N)(CC1CCC1)CC1CC1
InChIInChI=1S/C13H23N/c1-2-8-13(14,10-12-6-7-12)9-11-4-3-5-11/h2,11-12H,1,3-10,14H2
InChIKeyHHVOBVQBWYRXFT-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.25
Rot. Bonds6

About 1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine

1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine (PubChem CID 89107543) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine
PubChem CID89107543
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine
SMILESC=CCC(N)(CC1CCC1)CC1CC1
InChIInChI=1S/C13H23N/c1-2-8-13(14,10-12-6-7-12)9-11-4-3-5-11/h2,11-12H,1,3-10,14H2
InChIKeyHHVOBVQBWYRXFT-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.25
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 1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine?
The IUPAC name of 1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine (CID 89107543) is 1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine.
What is the SMILES notation for 1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine?
The canonical SMILES for 1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine is C=CCC(N)(CC1CCC1)CC1CC1.
What is the InChIKey of 1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine?
The InChIKey is HHVOBVQBWYRXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-8-13(14,10-12-6-7-12)9-11-4-3-5-11/h2,11-12H,1,3-10,14H2.
What are the key properties of 1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine?
1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine has a molecular weight of 193.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine is sourced from PubChem (CID 89107543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).