4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine

C12H22N2 — CID 79207657

IUPAC4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCC1(NCC2C=CC(N)C2)CCCC1
InChIInChI=1S/C12H22N2/c1-12(6-2-3-7-12)14-9-10-4-5-11(13)8-10/h4-5,10-11,14H,2-3,6-9,13H2,1H3
InChIKeyMWFKWXGTLSNJDE-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.81
Rot. Bonds3

About 4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine

4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 79207657) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID79207657
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCC1(NCC2C=CC(N)C2)CCCC1
InChIInChI=1S/C12H22N2/c1-12(6-2-3-7-12)14-9-10-4-5-11(13)8-10/h4-5,10-11,14H,2-3,6-9,13H2,1H3
InChIKeyMWFKWXGTLSNJDE-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine (CID 79207657) is 4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine is CC1(NCC2C=CC(N)C2)CCCC1.
What is the InChIKey of 4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is MWFKWXGTLSNJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(6-2-3-7-12)14-9-10-4-5-11(13)8-10/h4-5,10-11,14H,2-3,6-9,13H2,1H3.
What are the key properties of 4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine?
4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).