N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide

C14H28N2O — CID 79115669

IUPACN-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide
SMILESCCN(C(=O)C(C)C(C)C)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O/c1-5-16(14(17)11(4)10(2)3)13-8-6-12(15)7-9-13/h10-13H,5-9,15H2,1-4H3
InChIKeyWDUXIRCFUOFGEZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide

N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide (PubChem CID 79115669) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide
PubChem CID79115669
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide
SMILESCCN(C(=O)C(C)C(C)C)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O/c1-5-16(14(17)11(4)10(2)3)13-8-6-12(15)7-9-13/h10-13H,5-9,15H2,1-4H3
InChIKeyWDUXIRCFUOFGEZ-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

N-(4-aminocyclohexyl)-N-ethyl-2-methylpentanamide
CID 79115926
2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257
1-(4-aminocyclohexyl)-1-ethyl-3-propan-2-ylurea
CID 79116126
N-(4-aminocyclohexyl)-N-ethylcyclobutanecarboxamide
CID 79116436
N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide
CID 79152914
2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide
CID 79121180
N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide
CID 79116038
N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925783
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide
CID 79115434
2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
CID 56831854
N-(4-aminocyclohexyl)-2-cyclohexyl-N-ethylacetamide
CID 79115417

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide (CID 79115669) is N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide is CCN(C(=O)C(C)C(C)C)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide?
The InChIKey is WDUXIRCFUOFGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-16(14(17)11(4)10(2)3)13-8-6-12(15)7-9-13/h10-13H,5-9,15H2,1-4H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide?
N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide 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 N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide is sourced from PubChem (CID 79115669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).