N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride

C13H29ClN2OS — CID 119667683

IUPACN-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CSCCC(C)C.Cl
InChIInChI=1S/C13H28N2OS.ClH/c1-4-5-6-12(9-14)15-13(16)10-17-8-7-11(2)3;/h11-12H,4-10,14H2,1-3H3,(H,15,16);1H
InChIKeyVNFRGPVEZSKUGI-UHFFFAOYSA-N
MW296.91 g/mol
LogP2.82
Rot. Bonds10

About N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride (PubChem CID 119667683) has the molecular formula C13H29ClN2OS and a molecular weight of 296.91 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
PubChem CID119667683
Molecular FormulaC13H29ClN2OS
Molecular Weight296.91 g/mol
Exact Mass296.17
IUPAC NameN-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CSCCC(C)C.Cl
InChIInChI=1S/C13H28N2OS.ClH/c1-4-5-6-12(9-14)15-13(16)10-17-8-7-11(2)3;/h11-12H,4-10,14H2,1-3H3,(H,15,16);1H
InChIKeyVNFRGPVEZSKUGI-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.91
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119668001
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
N-(1-aminohexan-2-yl)-2-butylsulfanylpropanamide
CID 119666195
N-(1-aminopentan-2-yl)-4-methylpentanamide
CID 65190982
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-(1-aminohexan-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
CID 119667078
2-[[2-(3-methylbutylsulfanyl)acetyl]amino]butanoic acid
CID 115731057
N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride
CID 119666304
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
CID 171627931
2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide
CID 122080967
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
CID 119524067

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride (CID 119667683) is N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride is CCCCC(CN)NC(=O)CSCCC(C)C.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride?
The InChIKey is VNFRGPVEZSKUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS.ClH/c1-4-5-6-12(9-14)15-13(16)10-17-8-7-11(2)3;/h11-12H,4-10,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride has a molecular weight of 296.91 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride is sourced from PubChem (CID 119667683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).