1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine

C12H23N — CID 66036840

IUPAC1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)C1CCCC1
InChIInChI=1S/C12H23N/c1-4-10(2)9-12(13-3)11-7-5-6-8-11/h11-13H,2,4-9H2,1,3H3
InChIKeyPCRXXTSJXUFHQD-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine

1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine (PubChem CID 66036840) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
PubChem CID66036840
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)C1CCCC1
InChIInChI=1S/C12H23N/c1-4-10(2)9-12(13-3)11-7-5-6-8-11/h11-13H,2,4-9H2,1,3H3
InChIKeyPCRXXTSJXUFHQD-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
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-cyclopentyl-N-methyl-3-methylidenepentan-1-amine?
The IUPAC name of 1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine (CID 66036840) is 1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine?
The canonical SMILES for 1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine is C=C(CC)CC(NC)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine?
The InChIKey is PCRXXTSJXUFHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-10(2)9-12(13-3)11-7-5-6-8-11/h11-13H,2,4-9H2,1,3H3.
What are the key properties of 1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine?
1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 66036840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).