N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride

C10H23ClN2OS — CID 119571336

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCSC.Cl
InChIInChI=1S/C10H22N2OS.ClH/c1-4-10(5-2,8-11)12-9(13)6-7-14-3;/h4-8,11H2,1-3H3,(H,12,13);1H
InChIKeyWLIJVCJMUDERMF-UHFFFAOYSA-N
MW254.83 g/mol
LogP1.79
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride (PubChem CID 119571336) has the molecular formula C10H23ClN2OS and a molecular weight of 254.83 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
PubChem CID119571336
Molecular FormulaC10H23ClN2OS
Molecular Weight254.83 g/mol
Exact Mass254.12
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCSC.Cl
InChIInChI=1S/C10H22N2OS.ClH/c1-4-10(5-2,8-11)12-9(13)6-7-14-3;/h4-8,11H2,1-3H3,(H,12,13);1H
InChIKeyWLIJVCJMUDERMF-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.83
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxypropanamide;hydrochloride
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N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119570151
N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide
CID 119569993
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
N-[3-(aminomethyl)pentan-3-yl]-3-(oxan-4-yloxy)propanamide;hydrochloride
CID 119570341
N-[3-(aminomethyl)pentan-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide
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N-[3-(aminomethyl)pentan-3-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 119569293
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
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CID 63766558

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride (CID 119571336) is N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCSC.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride?
The InChIKey is WLIJVCJMUDERMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS.ClH/c1-4-10(5-2,8-11)12-9(13)6-7-14-3;/h4-8,11H2,1-3H3,(H,12,13);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride has a molecular weight of 254.83 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-methylsulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119571336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).