N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride

C15H31ClN2OS — CID 119619696

IUPACN-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride
SMILESCSCCCCC(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C15H30N2OS.ClH/c1-19-13-7-6-10-15(18)17-12-11-16-14-8-4-2-3-5-9-14;/h14,16H,2-13H2,1H3,(H,17,18);1H
InChIKeyVTFFEMGLBMNUSI-UHFFFAOYSA-N
MW322.95 g/mol
LogP3.37
Rot. Bonds9

About N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride (PubChem CID 119619696) has the molecular formula C15H31ClN2OS and a molecular weight of 322.95 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride
PubChem CID119619696
Molecular FormulaC15H31ClN2OS
Molecular Weight322.95 g/mol
Exact Mass322.18
IUPAC NameN-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride
SMILESCSCCCCC(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C15H30N2OS.ClH/c1-19-13-7-6-10-15(18)17-12-11-16-14-8-4-2-3-5-9-14;/h14,16H,2-13H2,1H3,(H,17,18);1H
InChIKeyVTFFEMGLBMNUSI-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.95
LogP ≤ 53.37
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

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CID 119619598
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CID 119621375
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
CID 113283329
3-(cyclohexylamino)-N-prop-2-enylpropanamide
CID 109011800
2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride
CID 119620746
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
CID 119619329
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride (CID 119619696) is N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride is CSCCCCC(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride?
The InChIKey is VTFFEMGLBMNUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS.ClH/c1-19-13-7-6-10-15(18)17-12-11-16-14-8-4-2-3-5-9-14;/h14,16H,2-13H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride has a molecular weight of 322.95 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride is sourced from PubChem (CID 119619696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).