(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one

C13H26N2O — CID 104689769

IUPAC(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
SMILESCCC1CCCCCN1C(=O)[C@H](N)C(C)C
InChIInChI=1S/C13H26N2O/c1-4-11-8-6-5-7-9-15(11)13(16)12(14)10(2)3/h10-12H,4-9,14H2,1-3H3/t11?,12-/m1/s1
InChIKeyQUHKWVAHLFYUFK-PIJUOVFKSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds3

About (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one

(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one (PubChem CID 104689769) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
PubChem CID104689769
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
SMILESCCC1CCCCCN1C(=O)[C@H](N)C(C)C
InChIInChI=1S/C13H26N2O/c1-4-11-8-6-5-7-9-15(11)13(16)12(14)10(2)3/h10-12H,4-9,14H2,1-3H3/t11?,12-/m1/s1
InChIKeyQUHKWVAHLFYUFK-PIJUOVFKSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79012804
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
1-(2-ethylazepan-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107034891
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
2-(2-ethylazepane-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 104691118
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 61165533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one (CID 104689769) is (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one is CCC1CCCCCN1C(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one?
The InChIKey is QUHKWVAHLFYUFK-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11-8-6-5-7-9-15(11)13(16)12(14)10(2)3/h10-12H,4-9,14H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one?
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 104689769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).