5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile

C15H21N3 — CID 115487633

IUPAC5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESCCC1CCC(CNc2ccc(C#N)nc2)CC1
InChIInChI=1S/C15H21N3/c1-2-12-3-5-13(6-4-12)10-17-15-8-7-14(9-16)18-11-15/h7-8,11-13,17H,2-6,10H2,1H3
InChIKeyXMKCKXFQPBJHDH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.58
Rot. Bonds4

About 5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile

5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile (PubChem CID 115487633) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
PubChem CID115487633
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESCCC1CCC(CNc2ccc(C#N)nc2)CC1
InChIInChI=1S/C15H21N3/c1-2-12-3-5-13(6-4-12)10-17-15-8-7-14(9-16)18-11-15/h7-8,11-13,17H,2-6,10H2,1H3
InChIKeyXMKCKXFQPBJHDH-UHFFFAOYSA-N
XLogP3.58
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036
5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 115487752
6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 115602773
5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 113320652
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile
CID 103736388
5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
CID 106328906
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103837573
5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697513
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile (CID 115487633) is 5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile is CCC1CCC(CNc2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is XMKCKXFQPBJHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-12-3-5-13(6-4-12)10-17-15-8-7-14(9-16)18-11-15/h7-8,11-13,17H,2-6,10H2,1H3.
What are the key properties of 5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile?
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).