4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide

C13H26N2O — CID 115157078

IUPAC4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide
SMILESCN(CC1CCCC1)C(=O)C(C)(C)CCN
InChIInChI=1S/C13H26N2O/c1-13(2,8-9-14)12(16)15(3)10-11-6-4-5-7-11/h11H,4-10,14H2,1-3H3
InChIKeyVYYQUBBHMLBUHX-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds5

About 4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide

4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide (PubChem CID 115157078) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide
PubChem CID115157078
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide
SMILESCN(CC1CCCC1)C(=O)C(C)(C)CCN
InChIInChI=1S/C13H26N2O/c1-13(2,8-9-14)12(16)15(3)10-11-6-4-5-7-11/h11H,4-10,14H2,1-3H3
InChIKeyVYYQUBBHMLBUHX-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclohexylmethyl)-N,2,2,3-tetramethylbutanamide
CID 65269620
N-(cyclohexylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 62845802
2-amino-N-(cyclopentylmethyl)-N,2-dimethylpentanamide;hydrochloride
CID 119759251
2-amino-N-(cyclohexylmethyl)-2-ethyl-N-methylbutanamide
CID 79812390
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
2-amino-N-(cyclobutylmethyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79810672
4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115157150
2-(4-chlorophenoxy)-N-(cyclopentylmethyl)-N,2-dimethylpropanamide
CID 60603240
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
3-amino-N-(2-cyclobutylethyl)-N,2,2-trimethylpropanamide
CID 115154782
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide
CID 63657952

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide?
The IUPAC name of 4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide (CID 115157078) is 4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for 4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide is CN(CC1CCCC1)C(=O)C(C)(C)CCN.
What is the InChIKey of 4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide?
The InChIKey is VYYQUBBHMLBUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,8-9-14)12(16)15(3)10-11-6-4-5-7-11/h11H,4-10,14H2,1-3H3.
What are the key properties of 4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide?
4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 115157078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).