3-cyclohexyl-2-(methylamino)prop-2-enamide

C10H18N2O — CID 68635055

IUPAC3-cyclohexyl-2-(methylamino)prop-2-enamide
SMILESCNC(=CC1CCCCC1)C(N)=O
InChIInChI=1S/C10H18N2O/c1-12-9(10(11)13)7-8-5-3-2-4-6-8/h7-8,12H,2-6H2,1H3,(H2,11,13)
InChIKeyBLUPQSDVGUZMBK-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.16
Rot. Bonds3

About 3-cyclohexyl-2-(methylamino)prop-2-enamide

3-cyclohexyl-2-(methylamino)prop-2-enamide (PubChem CID 68635055) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-cyclohexyl-2-(methylamino)prop-2-enamide.

Molecular Properties

Compound Name3-cyclohexyl-2-(methylamino)prop-2-enamide
PubChem CID68635055
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-cyclohexyl-2-(methylamino)prop-2-enamide
SMILESCNC(=CC1CCCCC1)C(N)=O
InChIInChI=1S/C10H18N2O/c1-12-9(10(11)13)7-8-5-3-2-4-6-8/h7-8,12H,2-6H2,1H3,(H2,11,13)
InChIKeyBLUPQSDVGUZMBK-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.16
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

(E)-3-cyclopentyl-2-(methylamino)prop-2-enoic acid
CID 176706903
methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396
(E)-3-cyclohexyl-2-methylprop-2-enoate
CID 21225952
methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate
CID 70462096
3-cyclohexylprop-2-enamide
CID 54292987
2-(cyclopentadecylmethylidene)-3-ethylpentanoic acid
CID 173093496
2-(cyclodecylmethylidene)-3-methylbutanoic acid
CID 66700134
methyl 2,3-dicyclopentylprop-2-enoate
CID 57152498
(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
CID 67876019
3-(cyclopentylmethylidene)pentanedioic acid
CID 57132240
[(E)-3-bromo-2-methylprop-1-enyl]cyclohexane
CID 131275429
methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate
CID 69182024

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(methylamino)prop-2-enamide?
The IUPAC name of 3-cyclohexyl-2-(methylamino)prop-2-enamide (CID 68635055) is 3-cyclohexyl-2-(methylamino)prop-2-enamide.
What is the SMILES notation for 3-cyclohexyl-2-(methylamino)prop-2-enamide?
The canonical SMILES for 3-cyclohexyl-2-(methylamino)prop-2-enamide is CNC(=CC1CCCCC1)C(N)=O.
What is the InChIKey of 3-cyclohexyl-2-(methylamino)prop-2-enamide?
The InChIKey is BLUPQSDVGUZMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-9(10(11)13)7-8-5-3-2-4-6-8/h7-8,12H,2-6H2,1H3,(H2,11,13).
What are the key properties of 3-cyclohexyl-2-(methylamino)prop-2-enamide?
3-cyclohexyl-2-(methylamino)prop-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(methylamino)prop-2-enamide is sourced from PubChem (CID 68635055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).