(1-pent-4-enylcyclopentyl)methanamine

C11H21N — CID 42611663

IUPAC(1-pent-4-enylcyclopentyl)methanamine
SMILESC=CCCCC1(CN)CCCC1
InChIInChI=1S/C11H21N/c1-2-3-4-7-11(10-12)8-5-6-9-11/h2H,1,3-10,12H2
InChIKeyOGLLDJJLTWOZDC-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.86
Rot. Bonds5

About (1-pent-4-enylcyclopentyl)methanamine

(1-pent-4-enylcyclopentyl)methanamine (PubChem CID 42611663) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1-pent-4-enylcyclopentyl)methanamine.

Molecular Properties

Compound Name(1-pent-4-enylcyclopentyl)methanamine
PubChem CID42611663
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1-pent-4-enylcyclopentyl)methanamine
SMILESC=CCCCC1(CN)CCCC1
InChIInChI=1S/C11H21N/c1-2-3-4-7-11(10-12)8-5-6-9-11/h2H,1,3-10,12H2
InChIKeyOGLLDJJLTWOZDC-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 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 ≤ 52.86
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 (1-pent-4-enylcyclopentyl)methanamine?
The IUPAC name of (1-pent-4-enylcyclopentyl)methanamine (CID 42611663) is (1-pent-4-enylcyclopentyl)methanamine.
What is the SMILES notation for (1-pent-4-enylcyclopentyl)methanamine?
The canonical SMILES for (1-pent-4-enylcyclopentyl)methanamine is C=CCCCC1(CN)CCCC1.
What is the InChIKey of (1-pent-4-enylcyclopentyl)methanamine?
The InChIKey is OGLLDJJLTWOZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-7-11(10-12)8-5-6-9-11/h2H,1,3-10,12H2.
What are the key properties of (1-pent-4-enylcyclopentyl)methanamine?
(1-pent-4-enylcyclopentyl)methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pent-4-enylcyclopentyl)methanamine is sourced from PubChem (CID 42611663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).