N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine

C14H17NS — CID 115694093

IUPACN-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2cc3ccccc3s2)C1
InChIInChI=1S/C14H17NS/c1-10-6-12(7-10)15-9-13-8-11-4-2-3-5-14(11)16-13/h2-5,8,10,12,15H,6-7,9H2,1H3
InChIKeyXZZFJOPFFSWLFR-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.79
Rot. Bonds3

About N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine

N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine (PubChem CID 115694093) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine
PubChem CID115694093
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2cc3ccccc3s2)C1
InChIInChI=1S/C14H17NS/c1-10-6-12(7-10)15-9-13-8-11-4-2-3-5-14(11)16-13/h2-5,8,10,12,15H,6-7,9H2,1H3
InChIKeyXZZFJOPFFSWLFR-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-N-(1-benzothiophen-2-ylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 97224328
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine
CID 97224296
(3R,7S,8aS)-7-(1-benzothiophen-2-ylmethylamino)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56853289
N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64731685
N-[(5-chloro-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 117176302
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115742240
2-(ethoxymethyl)-1-benzothiophene
CID 89227680
2-(fluoromethyl)-1-benzothiophene
CID 119085404
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine
CID 117179726
N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide
CID 171823190

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine?
The IUPAC name of N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine (CID 115694093) is N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine?
The canonical SMILES for N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine is CC1CC(NCc2cc3ccccc3s2)C1.
What is the InChIKey of N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine?
The InChIKey is XZZFJOPFFSWLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-6-12(7-10)15-9-13-8-11-4-2-3-5-14(11)16-13/h2-5,8,10,12,15H,6-7,9H2,1H3.
What are the key properties of N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine?
N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115694093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).