N-(2-aminocycloheptyl)-2,2-dimethylbutanamide

C13H26N2O — CID 63258190

IUPACN-(2-aminocycloheptyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC1CCCCCC1N
InChIInChI=1S/C13H26N2O/c1-4-13(2,3)12(16)15-11-9-7-5-6-8-10(11)14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyVVYYPQFXSJDRTA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds3

About N-(2-aminocycloheptyl)-2,2-dimethylbutanamide

N-(2-aminocycloheptyl)-2,2-dimethylbutanamide (PubChem CID 63258190) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-2,2-dimethylbutanamide
PubChem CID63258190
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-aminocycloheptyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC1CCCCCC1N
InChIInChI=1S/C13H26N2O/c1-4-13(2,3)12(16)15-11-9-7-5-6-8-10(11)14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyVVYYPQFXSJDRTA-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorocyclohexyl)-2,2-dimethylbutanamide
CID 114301240
N-cyclopentyl-2,2-dimethylbutanamide
CID 4627793
2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 64814112
N-(2-aminocyclohexyl)propanamide
CID 61036997
N-(4-aminocyclohexyl)-2,2-dimethylbutanamide
CID 62678396
1-(2-aminocycloheptyl)-3-propylurea
CID 63258563
4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 61403433
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334
3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
CID 63680548
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 94415384
N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide
CID 87738917

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2-aminocycloheptyl)-2,2-dimethylbutanamide (CID 63258190) is N-(2-aminocycloheptyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2-aminocycloheptyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC1CCCCCC1N.
What is the InChIKey of N-(2-aminocycloheptyl)-2,2-dimethylbutanamide?
The InChIKey is VVYYPQFXSJDRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(2,3)12(16)15-11-9-7-5-6-8-10(11)14/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-aminocycloheptyl)-2,2-dimethylbutanamide?
N-(2-aminocycloheptyl)-2,2-dimethylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 63258190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).