4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile

C12H19N3 — CID 163908046

IUPAC4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile
SMILESN#CC1=C(N)CCN(C2CCCCC2)C1
InChIInChI=1S/C12H19N3/c13-8-10-9-15(7-6-12(10)14)11-4-2-1-3-5-11/h11H,1-7,9,14H2
InChIKeyQPRUZEBWHHEOES-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.76
Rot. Bonds1

About 4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile

4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile (PubChem CID 163908046) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile
PubChem CID163908046
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile
SMILESN#CC1=C(N)CCN(C2CCCCC2)C1
InChIInChI=1S/C12H19N3/c13-8-10-9-15(7-6-12(10)14)11-4-2-1-3-5-11/h11H,1-7,9,14H2
InChIKeyQPRUZEBWHHEOES-UHFFFAOYSA-N
XLogP1.76
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile
CID 166000107
1-cyclodecylpyrrolidin-3-one
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CID 910611
1-cyclobutylpyrrolidin-3-one
CID 62416933
7-cyclohexyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 3771706
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
5-cyclohexyl-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28907589
3-chloro-6-cyclohexyl-1-(diethylamino)-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
CID 171987341
1-cyclohexylazocane
CID 23151203
1-cyclooctylpiperidine
CID 89210756
1-cyclooctylpyrrolidine
CID 23277874
3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 3249876

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
The IUPAC name of 4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile (CID 163908046) is 4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile.
What is the SMILES notation for 4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
The canonical SMILES for 4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile is N#CC1=C(N)CCN(C2CCCCC2)C1.
What is the InChIKey of 4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
The InChIKey is QPRUZEBWHHEOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-8-10-9-15(7-6-12(10)14)11-4-2-1-3-5-11/h11H,1-7,9,14H2.
What are the key properties of 4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile has a molecular weight of 205.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclohexyl-3,6-dihydro-2H-pyridine-5-carbonitrile is sourced from PubChem (CID 163908046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).