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

C15H28N4 — CID 117039576

IUPAC1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile
SMILESCN1CCC(CCN(C)C2CCC(N)(C#N)CC2)C1
InChIInChI=1S/C15H28N4/c1-18-9-5-13(11-18)6-10-19(2)14-3-7-15(17,12-16)8-4-14/h13-14H,3-11,17H2,1-2H3
InChIKeyOTWFWOUXPCSRBJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.42
Rot. Bonds4

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

1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile (PubChem CID 117039576) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile
PubChem CID117039576
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile
SMILESCN1CCC(CCN(C)C2CCC(N)(C#N)CC2)C1
InChIInChI=1S/C15H28N4/c1-18-9-5-13(11-18)6-10-19(2)14-3-7-15(17,12-16)8-4-14/h13-14H,3-11,17H2,1-2H3
InChIKeyOTWFWOUXPCSRBJ-UHFFFAOYSA-N
XLogP1.42
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol
CID 117039426
1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile
CID 117039527
1-amino-4-[2-(4-bromophenyl)ethyl-methylamino]cyclohexane-1-carbonitrile
CID 117039565
N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine
CID 115145636
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267
1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide
CID 115172736
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245215
4-amino-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]benzonitrile
CID 115127345
N-[(1-aminocyclopropyl)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 115256600
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639281
1-N-methyl-1-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1,2-diamine
CID 115117705

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile (CID 117039576) is 1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile is CN1CCC(CCN(C)C2CCC(N)(C#N)CC2)C1.
What is the InChIKey of 1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile?
The InChIKey is OTWFWOUXPCSRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-18-9-5-13(11-18)6-10-19(2)14-3-7-15(17,12-16)8-4-14/h13-14H,3-11,17H2,1-2H3.
What are the key properties of 1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile?
1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile has a molecular weight of 264.42 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 117039576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).