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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Related Compounds

Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
(Bicyclo(2.2.1)hept-5-en-2-ylmethyl)(propan-2-yl)amine
CID 43225117
{Bicyclo[2.2.1]hept-5-en-2-ylmethyl}(tert-butyl)amine
CID 43754984
N-(4-ethenyl-4-fluorocyclobut-2-en-1-yl)-3-methylcyclopentan-1-amine
CID 123765745
N-prop-2-enylbicyclo[2.2.1]hept-5-en-2-amine
CID 76225387
4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine
CID 130538852
3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine
CID 130604649
(1R,4R)-N-[(2S)-1-fluoropropan-2-yl]bicyclo[2.2.1]hept-5-en-2-amine
CID 130695817
(1R,4R)-N-(1-fluoropropan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine
CID 130736614
2-(1-fluoro-1-pyrrolidin-2-ylethyl)-2,5-dihydro-1H-pyrrole
CID 130874765
cis-(1R,3S)-N-[(Z)-2-fluoropent-2-enyl]-3-methylcyclopentan-1-amine
CID 144516911

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).