4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide

C14H28N2O — CID 79469783

IUPAC4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
SMILESCCC(C)CN(CC)C(=O)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O/c1-4-11(3)10-16(5-2)14(17)12-6-8-13(15)9-7-12/h11-13H,4-10,15H2,1-3H3
InChIKeyBZNAJDXRUUFZJQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds5

About 4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide

4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 79469783) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
PubChem CID79469783
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
SMILESCCC(C)CN(CC)C(=O)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O/c1-4-11(3)10-16(5-2)14(17)12-6-8-13(15)9-7-12/h11-13H,4-10,15H2,1-3H3
InChIKeyBZNAJDXRUUFZJQ-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide (CID 79469783) is 4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide is CCC(C)CN(CC)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is BZNAJDXRUUFZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-11(3)10-16(5-2)14(17)12-6-8-13(15)9-7-12/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide?
4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79469783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).