3-(cyclohexylamino)-N-prop-2-enylpropanamide

C12H22N2O — CID 109011800

IUPAC3-(cyclohexylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCNC1CCCCC1
InChIInChI=1S/C12H22N2O/c1-2-9-14-12(15)8-10-13-11-6-4-3-5-7-11/h2,11,13H,1,3-10H2,(H,14,15)
InChIKeyUVHPUWDEYQUTIM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.60
Rot. Bonds6

About 3-(cyclohexylamino)-N-prop-2-enylpropanamide

3-(cyclohexylamino)-N-prop-2-enylpropanamide (PubChem CID 109011800) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclohexylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(cyclohexylamino)-N-prop-2-enylpropanamide
PubChem CID109011800
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(cyclohexylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCNC1CCCCC1
InChIInChI=1S/C12H22N2O/c1-2-9-14-12(15)8-10-13-11-6-4-3-5-7-11/h2,11,13H,1,3-10H2,(H,14,15)
InChIKeyUVHPUWDEYQUTIM-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
CID 110983081
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
azane;N-prop-2-enylcyclohexanamine
CID 22328045
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
N-cyclohexylprop-2-enamide;N-prop-2-enylprop-2-enamide
CID 174429231
N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride
CID 119619696
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(cyclohexylamino)-N-prop-2-enylpropanamide (CID 109011800) is 3-(cyclohexylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(cyclohexylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(cyclohexylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCNC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)-N-prop-2-enylpropanamide?
The InChIKey is UVHPUWDEYQUTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-9-14-12(15)8-10-13-11-6-4-3-5-7-11/h2,11,13H,1,3-10H2,(H,14,15).
What are the key properties of 3-(cyclohexylamino)-N-prop-2-enylpropanamide?
3-(cyclohexylamino)-N-prop-2-enylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 109011800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).