7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride

C14H25ClN2OS — CID 119773733

IUPAC7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
SMILESCc1ccc(CN(C)C(=O)CCCCCCN)s1.Cl
InChIInChI=1S/C14H24N2OS.ClH/c1-12-8-9-13(18-12)11-16(2)14(17)7-5-3-4-6-10-15;/h8-9H,3-7,10-11,15H2,1-2H3;1H
InChIKeyHYJJQSBGYPODFP-UHFFFAOYSA-N
MW304.89 g/mol
LogP3.35
Rot. Bonds8

About 7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride

7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride (PubChem CID 119773733) has the molecular formula C14H25ClN2OS and a molecular weight of 304.89 g/mol. Its IUPAC name is 7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
PubChem CID119773733
Molecular FormulaC14H25ClN2OS
Molecular Weight304.89 g/mol
Exact Mass304.14
IUPAC Name7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
SMILESCc1ccc(CN(C)C(=O)CCCCCCN)s1.Cl
InChIInChI=1S/C14H24N2OS.ClH/c1-12-8-9-13(18-12)11-16(2)14(17)7-5-3-4-6-10-15;/h8-9H,3-7,10-11,15H2,1-2H3;1H
InChIKeyHYJJQSBGYPODFP-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.89
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 166403146
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 119773776
7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
CID 61426506
3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 120610443
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800
6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
CID 62058651
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride (CID 119773733) is 7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride is Cc1ccc(CN(C)C(=O)CCCCCCN)s1.Cl.
What is the InChIKey of 7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride?
The InChIKey is HYJJQSBGYPODFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS.ClH/c1-12-8-9-13(18-12)11-16(2)14(17)7-5-3-4-6-10-15;/h8-9H,3-7,10-11,15H2,1-2H3;1H.
What are the key properties of 7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride?
7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride has a molecular weight of 304.89 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119773733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).