3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide

C13H26N2O — CID 119819051

IUPAC3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide
SMILESCC(N)CC(=O)NC1CCC(C)(C)CC1C
InChIInChI=1S/C13H26N2O/c1-9-8-13(3,4)6-5-11(9)15-12(16)7-10(2)14/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyZAFNLQJRIVLIDD-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.05
Rot. Bonds3

About 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide

3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide (PubChem CID 119819051) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide
PubChem CID119819051
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide
SMILESCC(N)CC(=O)NC1CCC(C)(C)CC1C
InChIInChI=1S/C13H26N2O/c1-9-8-13(3,4)6-5-11(9)15-12(16)7-10(2)14/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyZAFNLQJRIVLIDD-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 304852
Butyramide, N-(4-butylcyclohexyl)-
CID 58003
Acetamide,N-[4-(1,1-dimethylethyl)cyclohexyl]-
CID 297770
2-methyl-N-({1,3,3-trimethyl-5-[(2-methylpropanoyl)amino]cyclohexyl}methyl)propanamide
CID 4122522
N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
CID 4189567
Tetradecahydro-1H-1,8-benzodiazacycloundecan-9-one
CID 110201224
2,2-dimethyl-N-(4-methylcyclohexyl)propanamide
CID 39903778
N-(4-ethylcyclohexyl)-2,2-dimethylpropanamide
CID 60738386
2,2-dimethyl-N-(4-propylcyclohexyl)propanamide
CID 61380937
N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide
CID 164672971
3,3-dimethyl-N-(2-methylcyclohexyl)butanamide
CID 4475477
2-amino-N-(2,4,4-trimethylcyclohexyl)pentanamide
CID 91645153

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide?
The IUPAC name of 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide (CID 119819051) is 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide.
What is the SMILES notation for 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide?
The canonical SMILES for 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide is CC(N)CC(=O)NC1CCC(C)(C)CC1C.
What is the InChIKey of 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide?
The InChIKey is ZAFNLQJRIVLIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9-8-13(3,4)6-5-11(9)15-12(16)7-10(2)14/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide?
3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide is sourced from PubChem (CID 119819051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).