2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile

C14H25N3 — CID 83015033

IUPAC2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile
SMILESCC1CCCC(C)N1NC1CCCCC1C#N
InChIInChI=1S/C14H25N3/c1-11-6-5-7-12(2)17(11)16-14-9-4-3-8-13(14)10-15/h11-14,16H,3-9H2,1-2H3
InChIKeyVKUVRZSYHYPPGS-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.84
Rot. Bonds2

About 2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile

2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 83015033) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile
PubChem CID83015033
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile
SMILESCC1CCCC(C)N1NC1CCCCC1C#N
InChIInChI=1S/C14H25N3/c1-11-6-5-7-12(2)17(11)16-14-9-4-3-8-13(14)10-15/h11-14,16H,3-9H2,1-2H3
InChIKeyVKUVRZSYHYPPGS-UHFFFAOYSA-N
XLogP2.84
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile
CID 83021022
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454
2-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 62742199
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452
2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile
CID 79101354
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
2,6-dimethyl-N-(2-piperidin-2-ylcyclohexyl)piperidin-1-amine
CID 83009158
2,6-dimethyl-N-(2-piperidin-2-ylcyclopentyl)piperidin-1-amine
CID 83007305
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
cyclopentane-1,2-dicarbonitrile
CID 19807606
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile (CID 83015033) is 2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile is CC1CCCC(C)N1NC1CCCCC1C#N.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is VKUVRZSYHYPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-6-5-7-12(2)17(11)16-14-9-4-3-8-13(14)10-15/h11-14,16H,3-9H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile?
2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 83015033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).