4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide

C13H24N2O — CID 81489650

IUPAC4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCN(CC)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H24N2O/c1-3-9-15(4-2)13(16)12-7-5-11(10-14)6-8-12/h3,11-12H,1,4-10,14H2,2H3
InChIKeyVMFNXOFKJACAPJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.79
Rot. Bonds5

About 4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide

4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide (PubChem CID 81489650) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide
PubChem CID81489650
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCN(CC)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H24N2O/c1-3-9-15(4-2)13(16)12-7-5-11(10-14)6-8-12/h3,11-12H,1,4-10,14H2,2H3
InChIKeyVMFNXOFKJACAPJ-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
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-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide (CID 81489650) is 4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide is C=CCN(CC)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide?
The InChIKey is VMFNXOFKJACAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-9-15(4-2)13(16)12-7-5-11(10-14)6-8-12/h3,11-12H,1,4-10,14H2,2H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide is sourced from PubChem (CID 81489650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).