N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine

C13H21NS — CID 79803205

IUPACN-[(4-methylthiophen-3-yl)methyl]cycloheptanamine
SMILESCc1cscc1CNC1CCCCCC1
InChIInChI=1S/C13H21NS/c1-11-9-15-10-12(11)8-14-13-6-4-2-3-5-7-13/h9-10,13-14H,2-8H2,1H3
InChIKeyONBJDBQCRQINIY-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.87
Rot. Bonds3

About N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine

N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine (PubChem CID 79803205) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(4-methylthiophen-3-yl)methyl]cycloheptanamine
PubChem CID79803205
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[(4-methylthiophen-3-yl)methyl]cycloheptanamine
SMILESCc1cscc1CNC1CCCCCC1
InChIInChI=1S/C13H21NS/c1-11-9-15-10-12(11)8-14-13-6-4-2-3-5-7-13/h9-10,13-14H,2-8H2,1H3
InChIKeyONBJDBQCRQINIY-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine
CID 79803372
1-cyclohexyl-3-[(4-methylthiophen-3-yl)methyl]thiourea
CID 116509457
N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562101
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine
CID 114749047
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine
CID 82132708
N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine
CID 106577389
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine
CID 107961487
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine (CID 79803205) is N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine is Cc1cscc1CNC1CCCCCC1.
What is the InChIKey of N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine?
The InChIKey is ONBJDBQCRQINIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-11-9-15-10-12(11)8-14-13-6-4-2-3-5-7-13/h9-10,13-14H,2-8H2,1H3.
What are the key properties of N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine?
N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine has a molecular weight of 223.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine is sourced from PubChem (CID 79803205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).