(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride

C10H22ClN3O — CID 130626855

IUPAC(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(C)C1CCCNCC1.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-8(11)10(14)13(2)9-4-3-6-12-7-5-9;/h8-9,12H,3-7,11H2,1-2H3;1H/t8-,9?;/m0./s1
InChIKeyFURZNTQPAALOLN-GUORDYTPSA-N
MW235.76 g/mol
LogP0.36
Rot. Bonds2

About (2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride

(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride (PubChem CID 130626855) has the molecular formula C10H22ClN3O and a molecular weight of 235.76 g/mol. Its IUPAC name is (2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
PubChem CID130626855
Molecular FormulaC10H22ClN3O
Molecular Weight235.76 g/mol
Exact Mass235.15
IUPAC Name(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(C)C1CCCNCC1.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-8(11)10(14)13(2)9-4-3-6-12-7-5-9;/h8-9,12H,3-7,11H2,1-2H3;1H/t8-,9?;/m0./s1
InChIKeyFURZNTQPAALOLN-GUORDYTPSA-N
XLogP0.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-N,2,3-trimethylbutanamide
CID 104974580
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
CID 119328237
(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842358
2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride
CID 130763017
N-(azepan-4-yl)-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 104974731
2-ethoxy-N-methyl-N-piperidin-4-ylpropanamide
CID 119444012
2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 119443872
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
1-(azepan-4-yl)-3-cyclohexyl-1-methylurea
CID 107172653

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride (CID 130626855) is (2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride is C[C@H](N)C(=O)N(C)C1CCCNCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride?
The InChIKey is FURZNTQPAALOLN-GUORDYTPSA-N. The full InChI is InChI=1S/C10H21N3O.ClH/c1-8(11)10(14)13(2)9-4-3-6-12-7-5-9;/h8-9,12H,3-7,11H2,1-2H3;1H/t8-,9?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride?
(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 130626855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).