1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine

C14H17NS — CID 22638783

IUPAC1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CC1c1csc2ccccc12
InChIInChI=1S/C14H17NS/c1-15(2)8-10-7-12(10)13-9-16-14-6-4-3-5-11(13)14/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyAQBBMDYZYWMBQN-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.57
Rot. Bonds3

About 1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine

1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine (PubChem CID 22638783) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine
PubChem CID22638783
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CC1c1csc2ccccc12
InChIInChI=1S/C14H17NS/c1-15(2)8-10-7-12(10)13-9-16-14-6-4-3-5-11(13)14/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyAQBBMDYZYWMBQN-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine (CID 22638783) is 1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine is CN(C)CC1CC1c1csc2ccccc12.
What is the InChIKey of 1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine?
The InChIKey is AQBBMDYZYWMBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-15(2)8-10-7-12(10)13-9-16-14-6-4-3-5-11(13)14/h3-6,9-10,12H,7-8H2,1-2H3.
What are the key properties of 1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine?
1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-yl)cyclopropyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 22638783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).