2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide

C13H26N2O — CID 62782744

IUPAC2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide
SMILESCC(C)(C)CNC(=O)CC1CCCC(N)C1
InChIInChI=1S/C13H26N2O/c1-13(2,3)9-15-12(16)8-10-5-4-6-11(14)7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyKUWDSJPTYALXBF-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds3

About 2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide

2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide (PubChem CID 62782744) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide
PubChem CID62782744
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide
SMILESCC(C)(C)CNC(=O)CC1CCCC(N)C1
InChIInChI=1S/C13H26N2O/c1-13(2,3)9-15-12(16)8-10-5-4-6-11(14)7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyKUWDSJPTYALXBF-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide (CID 62782744) is 2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide is CC(C)(C)CNC(=O)CC1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is KUWDSJPTYALXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)9-15-12(16)8-10-5-4-6-11(14)7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide?
2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 62782744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).