N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine

C17H25NS — CID 79220706

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine
SMILESCC1CCCCCC1NCC1CSc2ccccc21
InChIInChI=1S/C17H25NS/c1-13-7-3-2-4-9-16(13)18-11-14-12-19-17-10-6-5-8-15(14)17/h5-6,8,10,13-14,16,18H,2-4,7,9,11-12H2,1H3
InChIKeyAQCBLBMJAZGQLV-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.43
Rot. Bonds3

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine (PubChem CID 79220706) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine
PubChem CID79220706
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine
SMILESCC1CCCCCC1NCC1CSc2ccccc21
InChIInChI=1S/C17H25NS/c1-13-7-3-2-4-9-16(13)18-11-14-12-19-17-10-6-5-8-15(14)17/h5-6,8,10,13-14,16,18H,2-4,7,9,11-12H2,1H3
InChIKeyAQCBLBMJAZGQLV-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine
CID 79221621
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine
CID 79221352
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 79221279
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
CID 79220613
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 115406592
N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 79220623
[1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-4-methylcyclohexyl]methanol
CID 79220776

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine (CID 79220706) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine is CC1CCCCCC1NCC1CSc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine?
The InChIKey is AQCBLBMJAZGQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-13-7-3-2-4-9-16(13)18-11-14-12-19-17-10-6-5-8-15(14)17/h5-6,8,10,13-14,16,18H,2-4,7,9,11-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine is sourced from PubChem (CID 79220706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).