3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide

C13H23N3O — CID 66432831

IUPAC3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC(C#N)NC1CCCCC1
InChIInChI=1S/C13H23N3O/c1-10(2)15-13(17)8-12(9-14)16-11-6-4-3-5-7-11/h10-12,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyHPDYUWHQRQUMJR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds5

About 3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide

3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide (PubChem CID 66432831) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide
PubChem CID66432831
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC(C#N)NC1CCCCC1
InChIInChI=1S/C13H23N3O/c1-10(2)15-13(17)8-12(9-14)16-11-6-4-3-5-7-11/h10-12,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyHPDYUWHQRQUMJR-UHFFFAOYSA-N
XLogP1.72
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-cyano-3-(cyclopentylamino)propanoate
CID 66432359
2-(cyclopentylamino)-4-methylpentanenitrile
CID 61002564
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CID 104711189
3-cyano-N-propan-2-ylbutanamide
CID 82111212
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(cyclohexylamino)-4,4-dimethoxybutanenitrile
CID 66269206
N-cyclopentyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43402010
3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide
CID 134349254
2-(cyclohexylamino)nonanenitrile
CID 54894188
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide (CID 66432831) is 3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)CC(C#N)NC1CCCCC1.
What is the InChIKey of 3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide?
The InChIKey is HPDYUWHQRQUMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)15-13(17)8-12(9-14)16-11-6-4-3-5-7-11/h10-12,16H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide?
3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide has a molecular weight of 237.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 66432831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).