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

C14H26N4 — CID 117039527

IUPAC1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile
SMILESCN1CCCC(N(C)C2CCC(N)(C#N)CC2)C1
InChIInChI=1S/C14H26N4/c1-17-9-3-4-13(10-17)18(2)12-5-7-14(16,11-15)8-6-12/h12-13H,3-10,16H2,1-2H3
InChIKeyFWFCFEOTMXKIIE-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.18
Rot. Bonds2

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

1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 117039527) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile
PubChem CID117039527
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile
SMILESCN1CCCC(N(C)C2CCC(N)(C#N)CC2)C1
InChIInChI=1S/C14H26N4/c1-17-9-3-4-13(10-17)18(2)12-5-7-14(16,11-15)8-6-12/h12-13H,3-10,16H2,1-2H3
InChIKeyFWFCFEOTMXKIIE-UHFFFAOYSA-N
XLogP1.18
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile
CID 117039576
2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
CID 62548009
N-(azetidin-3-yl)-N,1-dimethylpiperidin-3-amine
CID 62785558
1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 79005497
1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
CID 62547117
1-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245215
4-amino-4-cyano-N-cyclopentyl-N-methylcyclohexane-1-carboxamide
CID 115151288
4-tert-butyl-2-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile
CID 62546773
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
CID 115258466
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 79847644
1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 115183296

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile (CID 117039527) is 1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile is CN1CCCC(N(C)C2CCC(N)(C#N)CC2)C1.
What is the InChIKey of 1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is FWFCFEOTMXKIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-17-9-3-4-13(10-17)18(2)12-5-7-14(16,11-15)8-6-12/h12-13H,3-10,16H2,1-2H3.
What are the key properties of 1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile?
1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 117039527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).