(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride

C9H20ClN3O — CID 130616794

IUPAC(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NC1CCCC(N)C1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-6(10)9(13)12-8-4-2-3-7(11)5-8;/h6-8H,2-5,10-11H2,1H3,(H,12,13);1H/t6-,7?,8?;/m0./s1
InChIKeyYIOVXCFYNVHDOO-JTWCQKHYSA-N
MW221.73 g/mol
LogP0.14
Rot. Bonds2

About (2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride

(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride (PubChem CID 130616794) has the molecular formula C9H20ClN3O and a molecular weight of 221.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
PubChem CID130616794
Molecular FormulaC9H20ClN3O
Molecular Weight221.73 g/mol
Exact Mass221.13
IUPAC Name(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NC1CCCC(N)C1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-6(10)9(13)12-8-4-2-3-7(11)5-8;/h6-8H,2-5,10-11H2,1H3,(H,12,13);1H/t6-,7?,8?;/m0./s1
InChIKeyYIOVXCFYNVHDOO-JTWCQKHYSA-N
XLogP0.14
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
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3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
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N-(3-aminocyclohexyl)-2-cyclopropylacetamide
CID 83619282
2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide
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tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride (CID 130616794) is (2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride is C[C@H](N)C(=O)NC1CCCC(N)C1.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride?
The InChIKey is YIOVXCFYNVHDOO-JTWCQKHYSA-N. The full InChI is InChI=1S/C9H19N3O.ClH/c1-6(10)9(13)12-8-4-2-3-7(11)5-8;/h6-8H,2-5,10-11H2,1H3,(H,12,13);1H/t6-,7?,8?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride?
(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 130616794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).