4-amino-N-prop-2-enylcyclohexane-1-carboxamide

C10H18N2O — CID 60848642

IUPAC4-amino-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C10H18N2O/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h2,8-9H,1,3-7,11H2,(H,12,13)
InChIKeyMXSXROOXDMJNJV-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.81
Rot. Bonds3

About 4-amino-N-prop-2-enylcyclohexane-1-carboxamide

4-amino-N-prop-2-enylcyclohexane-1-carboxamide (PubChem CID 60848642) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-amino-N-prop-2-enylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-prop-2-enylcyclohexane-1-carboxamide
PubChem CID60848642
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-amino-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C10H18N2O/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h2,8-9H,1,3-7,11H2,(H,12,13)
InChIKeyMXSXROOXDMJNJV-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
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 4-amino-N-prop-2-enylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-prop-2-enylcyclohexane-1-carboxamide (CID 60848642) is 4-amino-N-prop-2-enylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-prop-2-enylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-prop-2-enylcyclohexane-1-carboxamide is C=CCNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-prop-2-enylcyclohexane-1-carboxamide?
The InChIKey is MXSXROOXDMJNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h2,8-9H,1,3-7,11H2,(H,12,13).
What are the key properties of 4-amino-N-prop-2-enylcyclohexane-1-carboxamide?
4-amino-N-prop-2-enylcyclohexane-1-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-prop-2-enylcyclohexane-1-carboxamide is sourced from PubChem (CID 60848642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).