2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

C16H32N2O — CID 62782466

IUPAC2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CC1CCC(N)CC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)11-16(4,5)18-14(19)10-12-6-8-13(17)9-7-12/h12-13H,6-11,17H2,1-5H3,(H,18,19)
InChIKeyDTDZXZGNDBBNIT-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.22
Rot. Bonds4

About 2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 62782466) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID62782466
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CC1CCC(N)CC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)11-16(4,5)18-14(19)10-12-6-8-13(17)9-7-12/h12-13H,6-11,17H2,1-5H3,(H,18,19)
InChIKeyDTDZXZGNDBBNIT-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminocyclohexyl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 113470824
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclopentane-1-carboxamide
CID 66009158
2-piperidin-3-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 62688845
3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 60520430
2-(4-aminocyclohexyl)-N-(3,3-dimethylbutan-2-yl)acetamide
CID 104830066
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119674765
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737
2-(4-aminocyclohexyl)-N-(4-ethylcyclohexyl)acetamide
CID 62782919
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
2-(2-aminocyclohexyl)-N-(2-methylbutan-2-yl)acetamide
CID 62775988
N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
CID 55117197
2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
CID 62782083

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 62782466) is 2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(C)(C)CC(C)(C)NC(=O)CC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is DTDZXZGNDBBNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)11-16(4,5)18-14(19)10-12-6-8-13(17)9-7-12/h12-13H,6-11,17H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 268.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 62782466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).