(Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide

C15H25N3O2 — CID 108831514

IUPAC(Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide
SMILESN#C/C(=C/NCCCCCO)C(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O2/c16-11-13(12-17-9-5-2-6-10-19)15(20)18-14-7-3-1-4-8-14/h12,14,17,19H,1-10H2,(H,18,20)/b13-12-
InChIKeySHJQYTMAHAKSFZ-SEYXRHQNSA-N
MW279.38 g/mol
LogP1.59
Rot. Bonds8

About (Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide (PubChem CID 108831514) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide
PubChem CID108831514
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide
SMILESN#C/C(=C/NCCCCCO)C(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O2/c16-11-13(12-17-9-5-2-6-10-19)15(20)18-14-7-3-1-4-8-14/h12,14,17,19H,1-10H2,(H,18,20)/b13-12-
InChIKeySHJQYTMAHAKSFZ-SEYXRHQNSA-N
XLogP1.59
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide
CID 108835621
(Z)-3-(3-chloropropylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835499
(Z)-2-cyano-N-cyclododecyl-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108862694
(Z)-3-(2-chloroethylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831425
(Z)-2-cyano-N-cyclohexyl-3-(3-ethoxypropylamino)prop-2-enamide
CID 108831372
(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
CID 108862743
(Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108862674
(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide
CID 108862557
(Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108862510
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
CID 108831586
(Z)-3-(5-hydroxypentylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862331

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide (CID 108831514) is (Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide is N#C/C(=C/NCCCCCO)C(=O)NC1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide?
The InChIKey is SHJQYTMAHAKSFZ-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H25N3O2/c16-11-13(12-17-9-5-2-6-10-19)15(20)18-14-7-3-1-4-8-14/h12,14,17,19H,1-10H2,(H,18,20)/b13-12-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide is sourced from PubChem (CID 108831514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).