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

C12H22N2O — CID 43086809

IUPAC2-(cyclohexylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1CCCCC1
InChIInChI=1S/C12H22N2O/c1-3-9-13-12(15)10(2)14-11-7-5-4-6-8-11/h3,10-11,14H,1,4-9H2,2H3,(H,13,15)
InChIKeyJCPBYBOQNOMHEP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.60
Rot. Bonds5

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

2-(cyclohexylamino)-N-prop-2-enylpropanamide (PubChem CID 43086809) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-prop-2-enylpropanamide
PubChem CID43086809
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(cyclohexylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1CCCCC1
InChIInChI=1S/C12H22N2O/c1-3-9-13-12(15)10(2)14-11-7-5-4-6-8-11/h3,10-11,14H,1,4-9H2,2H3,(H,13,15)
InChIKeyJCPBYBOQNOMHEP-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(cyclohexylamino)-N-prop-2-enylpropanamide (CID 43086809) is 2-(cyclohexylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(cyclohexylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-N-prop-2-enylpropanamide?
The InChIKey is JCPBYBOQNOMHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-9-13-12(15)10(2)14-11-7-5-4-6-8-11/h3,10-11,14H,1,4-9H2,2H3,(H,13,15).
What are the key properties of 2-(cyclohexylamino)-N-prop-2-enylpropanamide?
2-(cyclohexylamino)-N-prop-2-enylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43086809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).