3-methyl-4-methylidenecyclopentan-1-amine

C7H13N — CID 142947651

IUPAC3-methyl-4-methylidenecyclopentan-1-amine
SMILESC=C1CC(N)CC1C
InChIInChI=1S/C7H13N/c1-5-3-7(8)4-6(5)2/h6-7H,1,3-4,8H2,2H3
InChIKeyQJQUYXWXCRPHRD-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds

About 3-methyl-4-methylidenecyclopentan-1-amine

3-methyl-4-methylidenecyclopentan-1-amine (PubChem CID 142947651) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-methyl-4-methylidenecyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-4-methylidenecyclopentan-1-amine
PubChem CID142947651
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-methyl-4-methylidenecyclopentan-1-amine
SMILESC=C1CC(N)CC1C
InChIInChI=1S/C7H13N/c1-5-3-7(8)4-6(5)2/h6-7H,1,3-4,8H2,2H3
InChIKeyQJQUYXWXCRPHRD-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
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 3-methyl-4-methylidenecyclopentan-1-amine?
The IUPAC name of 3-methyl-4-methylidenecyclopentan-1-amine (CID 142947651) is 3-methyl-4-methylidenecyclopentan-1-amine.
What is the SMILES notation for 3-methyl-4-methylidenecyclopentan-1-amine?
The canonical SMILES for 3-methyl-4-methylidenecyclopentan-1-amine is C=C1CC(N)CC1C.
What is the InChIKey of 3-methyl-4-methylidenecyclopentan-1-amine?
The InChIKey is QJQUYXWXCRPHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-3-7(8)4-6(5)2/h6-7H,1,3-4,8H2,2H3.
What are the key properties of 3-methyl-4-methylidenecyclopentan-1-amine?
3-methyl-4-methylidenecyclopentan-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidenecyclopentan-1-amine is sourced from PubChem (CID 142947651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).