3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide

C14H26N2O — CID 113489159

IUPAC3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide
SMILESCCC1(NC(=O)C2CCC(C)C(N)C2)CCC1
InChIInChI=1S/C14H26N2O/c1-3-14(7-4-8-14)16-13(17)11-6-5-10(2)12(15)9-11/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyLRXOLVUZRYLNJY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.20
Rot. Bonds3

About 3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide

3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 113489159) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide
PubChem CID113489159
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide
SMILESCCC1(NC(=O)C2CCC(C)C(N)C2)CCC1
InChIInChI=1S/C14H26N2O/c1-3-14(7-4-8-14)16-13(17)11-6-5-10(2)12(15)9-11/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyLRXOLVUZRYLNJY-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide (CID 113489159) is 3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide is CCC1(NC(=O)C2CCC(C)C(N)C2)CCC1.
What is the InChIKey of 3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is LRXOLVUZRYLNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-14(7-4-8-14)16-13(17)11-6-5-10(2)12(15)9-11/h10-12H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide?
3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 113489159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).