(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide

C11H20N2O — CID 130533152

IUPAC(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide
SMILESCC1CCC(NC(=O)/C=C/CN)CC1
InChIInChI=1S/C11H20N2O/c1-9-4-6-10(7-5-9)13-11(14)3-2-8-12/h2-3,9-10H,4-8,12H2,1H3,(H,13,14)/b3-2+
InChIKeyULIQEYFNLWCRQM-NSCUHMNNSA-N
MW196.29 g/mol
LogP1.20
Rot. Bonds3

About (E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide

(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide (PubChem CID 130533152) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide
PubChem CID130533152
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide
SMILESCC1CCC(NC(=O)/C=C/CN)CC1
InChIInChI=1S/C11H20N2O/c1-9-4-6-10(7-5-9)13-11(14)3-2-8-12/h2-3,9-10H,4-8,12H2,1H3,(H,13,14)/b3-2+
InChIKeyULIQEYFNLWCRQM-NSCUHMNNSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 72689142
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CID 144516731
(E)-N-[(1R,3S)-3-methylcyclopentyl]nonadec-2-enamide;(E)-nonadec-2-enamide
CID 144516738
(E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide
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(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide
CID 144516859
(E)-4-bromo-N-cyclopentylbut-2-enamide
CID 153266331
(E)-4-[(4-ethylcyclohexyl)amino]-4-oxobut-2-enoic acid
CID 82239004
(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide
CID 134860935
(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride
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(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide?
The IUPAC name of (E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide (CID 130533152) is (E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide.
What is the SMILES notation for (E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide?
The canonical SMILES for (E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide is CC1CCC(NC(=O)/C=C/CN)CC1.
What is the InChIKey of (E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide?
The InChIKey is ULIQEYFNLWCRQM-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-4-6-10(7-5-9)13-11(14)3-2-8-12/h2-3,9-10H,4-8,12H2,1H3,(H,13,14)/b3-2+.
What are the key properties of (E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide?
(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide is sourced from PubChem (CID 130533152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).