3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide

C11H19N3O — CID 62742465

IUPAC3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1CCCCC1C#N
InChIInChI=1S/C11H19N3O/c1-13-11(15)6-7-14-10-5-3-2-4-9(10)8-12/h9-10,14H,2-7H2,1H3,(H,13,15)
InChIKeyDEZFQPBKVNLKKQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.79
Rot. Bonds4

About 3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide

3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide (PubChem CID 62742465) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
PubChem CID62742465
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1CCCCC1C#N
InChIInChI=1S/C11H19N3O/c1-13-11(15)6-7-14-10-5-3-2-4-9(10)8-12/h9-10,14H,2-7H2,1H3,(H,13,15)
InChIKeyDEZFQPBKVNLKKQ-UHFFFAOYSA-N
XLogP0.79
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
CID 62742466
3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide
CID 79393765
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62742043
2-[(2-cyanocyclohexyl)amino]acetamide
CID 62741855
N-(2-cyanocyclopentyl)-4-(methylamino)butanamide
CID 62961468
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986
2-(7-methyloctylamino)cyclohexane-1-carbonitrile
CID 107814920
N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide
CID 115903603
3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide
CID 124844755

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide (CID 62742465) is 3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide is CNC(=O)CCNC1CCCCC1C#N.
What is the InChIKey of 3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide?
The InChIKey is DEZFQPBKVNLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-11(15)6-7-14-10-5-3-2-4-9(10)8-12/h9-10,14H,2-7H2,1H3,(H,13,15).
What are the key properties of 3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide?
3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide is sourced from PubChem (CID 62742465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).