(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one

C14H28N2O — CID 103832803

IUPAC(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
SMILESCCC1CCCCCN1C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H28N2O/c1-4-12-8-6-5-7-9-16(12)14(17)13(15)10-11(2)3/h11-13H,4-10,15H2,1-3H3/t12?,13-/m0/s1
InChIKeyJEQNQUALLXIGGS-ABLWVSNPSA-N
MW240.39 g/mol
LogP2.54
Rot. Bonds4

About (2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one

(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one (PubChem CID 103832803) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
PubChem CID103832803
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
SMILESCCC1CCCCCN1C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H28N2O/c1-4-12-8-6-5-7-9-16(12)14(17)13(15)10-11(2)3/h11-13H,4-10,15H2,1-3H3/t12?,13-/m0/s1
InChIKeyJEQNQUALLXIGGS-ABLWVSNPSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61149139
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
CID 61156720
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
1-[(2R)-2-amino-4-methylpentanoyl]azepane-2-carboxylic acid
CID 103871063
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
CID 66263946
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one (CID 103832803) is (2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one is CCC1CCCCCN1C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one?
The InChIKey is JEQNQUALLXIGGS-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-12-8-6-5-7-9-16(12)14(17)13(15)10-11(2)3/h11-13H,4-10,15H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one?
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 103832803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).