3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide

C14H28N2O — CID 62782504

IUPAC3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide
SMILESCCC(C)N(CC)C(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C14H28N2O/c1-5-11(4)16(6-2)14(17)12-8-7-10(3)13(15)9-12/h10-13H,5-9,15H2,1-4H3
InChIKeyMFARGAAIPKWBJW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds4

About 3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide

3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide (PubChem CID 62782504) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide
PubChem CID62782504
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide
SMILESCCC(C)N(CC)C(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C14H28N2O/c1-5-11(4)16(6-2)14(17)12-8-7-10(3)13(15)9-12/h10-13H,5-9,15H2,1-4H3
InChIKeyMFARGAAIPKWBJW-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713
3-amino-N,N-diethyl-4-methylcyclohexane-1-carboxamide
CID 62777554
3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
CID 62782994
3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62777350
4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62781228
4-(aminomethyl)-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62808177
3-amino-N-ethyl-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide
CID 62782108
3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550345
3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 62781601
3-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074064
3-amino-N-butyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 55117107
3-amino-N-butan-2-yl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 66010253

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide (CID 62782504) is 3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide is CCC(C)N(CC)C(=O)C1CCC(C)C(N)C1.
What is the InChIKey of 3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide?
The InChIKey is MFARGAAIPKWBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-11(4)16(6-2)14(17)12-8-7-10(3)13(15)9-12/h10-13H,5-9,15H2,1-4H3.
What are the key properties of 3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide?
3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62782504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).