(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide

C13H19N3O — CID 108831586

IUPAC(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
SMILESN#C/C(=C/NC1CC1)C(=O)NC1CCCCC1
InChIInChI=1S/C13H19N3O/c14-8-10(9-15-11-6-7-11)13(17)16-12-4-2-1-3-5-12/h9,11-12,15H,1-7H2,(H,16,17)/b10-9-
InChIKeyZXYURSTZYJMDQH-KTKRTIGZSA-N
MW233.31 g/mol
LogP1.59
Rot. Bonds4

About (Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide (PubChem CID 108831586) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
PubChem CID108831586
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
SMILESN#C/C(=C/NC1CC1)C(=O)NC1CCCCC1
InChIInChI=1S/C13H19N3O/c14-8-10(9-15-11-6-7-11)13(17)16-12-4-2-1-3-5-12/h9,11-12,15H,1-7H2,(H,16,17)/b10-9-
InChIKeyZXYURSTZYJMDQH-KTKRTIGZSA-N
XLogP1.59
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108862697
2-[[(Z)-2-cyano-3-(cycloheptylamino)prop-2-enoyl]amino]acetic acid
CID 108844174
(Z)-N-(2-chloroethyl)-2-cyano-3-(cycloheptylamino)prop-2-enamide
CID 108854608
(Z)-3-(2-chloroethylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831425
(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide
CID 108862557
2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]amino]propanoic acid
CID 108831400
(Z)-2-cyano-N-cyclohexyl-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108831470
(Z)-N-(3-chloropropyl)-2-cyano-3-(cyclododecylamino)prop-2-enamide
CID 108854107
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831373
(Z)-3-(3-chloropropylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835499
(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
CID 108862743

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide (CID 108831586) is (Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide is N#C/C(=C/NC1CC1)C(=O)NC1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide?
The InChIKey is ZXYURSTZYJMDQH-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H19N3O/c14-8-10(9-15-11-6-7-11)13(17)16-12-4-2-1-3-5-12/h9,11-12,15H,1-7H2,(H,16,17)/b10-9-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide is sourced from PubChem (CID 108831586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).