4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile

C15H27N3 — CID 63276046

IUPAC4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(C)CC2CCN(C)C2)C1
InChIInChI=1S/C15H27N3/c1-12-4-5-14(9-16)15(8-12)18(3)11-13-6-7-17(2)10-13/h12-15H,4-8,10-11H2,1-3H3
InChIKeyFDFHXDLQRRWRFV-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.20
Rot. Bonds3

About 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile

4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile (PubChem CID 63276046) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile
PubChem CID63276046
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(C)CC2CCN(C)C2)C1
InChIInChI=1S/C15H27N3/c1-12-4-5-14(9-16)15(8-12)18(3)11-13-6-7-17(2)10-13/h12-15H,4-8,10-11H2,1-3H3
InChIKeyFDFHXDLQRRWRFV-UHFFFAOYSA-N
XLogP2.20
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 55172406
2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 55026446
2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-methylcyclohexane-1-carbonitrile
CID 79381676
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 62861497
2-[cyclopropylmethyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 63955782
4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275638
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808
4-tert-butyl-2-[cyclopentylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 63632465
2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291939
3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide
CID 106915497
4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 63513459
2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylcyclohexane-1-carbonitrile
CID 43648717

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile (CID 63276046) is 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile is CC1CCC(C#N)C(N(C)CC2CCN(C)C2)C1.
What is the InChIKey of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile?
The InChIKey is FDFHXDLQRRWRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-4-5-14(9-16)15(8-12)18(3)11-13-6-7-17(2)10-13/h12-15H,4-8,10-11H2,1-3H3.
What are the key properties of 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile?
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 63276046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).