2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide

C12H20N2O — CID 115919870

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCC1CC=CCC1
InChIInChI=1S/C12H20N2O/c1-2-8-14-12(15)10-13-9-11-6-4-3-5-7-11/h2-4,11,13H,1,5-10H2,(H,14,15)
InChIKeyXPVCTKXEFNLIDA-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.23
Rot. Bonds6

About 2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide

2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide (PubChem CID 115919870) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide
PubChem CID115919870
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCC1CC=CCC1
InChIInChI=1S/C12H20N2O/c1-2-8-14-12(15)10-13-9-11-6-4-3-5-7-11/h2-4,11,13H,1,5-10H2,(H,14,15)
InChIKeyXPVCTKXEFNLIDA-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.23
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

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CID 12734511
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CID 99823111
1-cyclohex-3-en-1-ylbut-3-en-2-one
CID 130029424
N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide
CID 78908843
N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide
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CID 54046672
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 53410796
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
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CID 76929527

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide (CID 115919870) is 2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide is C=CCNC(=O)CNCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide?
The InChIKey is XPVCTKXEFNLIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-8-14-12(15)10-13-9-11-6-4-3-5-7-11/h2-4,11,13H,1,5-10H2,(H,14,15).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide?
2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide has a molecular weight of 208.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)-N-prop-2-enylacetamide is sourced from PubChem (CID 115919870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).