1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine

C12H22N2 — CID 130964315

IUPAC1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(CC2=CCCCC2)C1
InChIInChI=1S/C12H22N2/c1-13-12-7-8-14(10-12)9-11-5-3-2-4-6-11/h5,12-13H,2-4,6-10H2,1H3
InChIKeyKZBLIDUIADIPRX-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.78
Rot. Bonds3

About 1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine

1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine (PubChem CID 130964315) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine
PubChem CID130964315
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(CC2=CCCCC2)C1
InChIInChI=1S/C12H22N2/c1-13-12-7-8-14(10-12)9-11-5-3-2-4-6-11/h5,12-13H,2-4,6-10H2,1H3
InChIKeyKZBLIDUIADIPRX-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopenten-1-yl)ethyl]-N-methylpyrrolidin-3-amine
CID 106172458
1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine
CID 139917011
1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride
CID 172883218
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 173124915
1-(cyclohexen-1-ylmethyl)-4-(1-ethylpiperidin-4-yl)-1,4-diazepane
CID 122153129
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
2-[(3R,4R)-3-[[(3S)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]carbamoyl]-1-[(2,6-dichlorophenyl)methyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 71293711
1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834027
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 118671533
N-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-amine
CID 62524559

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine (CID 130964315) is 1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine is CNC1CCN(CC2=CCCCC2)C1.
What is the InChIKey of 1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine?
The InChIKey is KZBLIDUIADIPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-13-12-7-8-14(10-12)9-11-5-3-2-4-6-11/h5,12-13H,2-4,6-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine?
1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 130964315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).