1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide

C14H26N2O — CID 115441467

IUPAC1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(CN)CCC(C)CC1)C1CC1
InChIInChI=1S/C14H26N2O/c1-3-16(12-4-5-12)13(17)14(10-15)8-6-11(2)7-9-14/h11-12H,3-10,15H2,1-2H3
InChIKeyKPOYOBFUIJEUAN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds4

About 1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide (PubChem CID 115441467) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide
PubChem CID115441467
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(CN)CCC(C)CC1)C1CC1
InChIInChI=1S/C14H26N2O/c1-3-16(12-4-5-12)13(17)14(10-15)8-6-11(2)7-9-14/h11-12H,3-10,15H2,1-2H3
InChIKeyKPOYOBFUIJEUAN-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide (CID 115441467) is 1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide is CCN(C(=O)C1(CN)CCC(C)CC1)C1CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide?
The InChIKey is KPOYOBFUIJEUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-16(12-4-5-12)13(17)14(10-15)8-6-11(2)7-9-14/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).