N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine

C14H21NS — CID 114749012

IUPACN-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine
SMILESCC1(C)CCc2c(CNC3CC3)csc2C1
InChIInChI=1S/C14H21NS/c1-14(2)6-5-12-10(8-15-11-3-4-11)9-16-13(12)7-14/h9,11,15H,3-8H2,1-2H3
InChIKeyKIMBYAROMXENAO-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.52
Rot. Bonds3

About N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine

N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine (PubChem CID 114749012) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine
PubChem CID114749012
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine
SMILESCC1(C)CCc2c(CNC3CC3)csc2C1
InChIInChI=1S/C14H21NS/c1-14(2)6-5-12-10(8-15-11-3-4-11)9-16-13(12)7-14/h9,11,15H,3-8H2,1-2H3
InChIKeyKIMBYAROMXENAO-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine (CID 114749012) is N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine is CC1(C)CCc2c(CNC3CC3)csc2C1.
What is the InChIKey of N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine?
The InChIKey is KIMBYAROMXENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-14(2)6-5-12-10(8-15-11-3-4-11)9-16-13(12)7-14/h9,11,15H,3-8H2,1-2H3.
What are the key properties of N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine?
N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine has a molecular weight of 235.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114749012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).