(6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine

C12H19NS — CID 114748520

IUPAC(6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
SMILESCCCC1CCc2c(CN)csc2C1
InChIInChI=1S/C12H19NS/c1-2-3-9-4-5-11-10(7-13)8-14-12(11)6-9/h8-9H,2-7,13H2,1H3
InChIKeyWWCVASNLLRBWJI-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.11
Rot. Bonds3

About (6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine

(6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine (PubChem CID 114748520) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
PubChem CID114748520
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
SMILESCCCC1CCc2c(CN)csc2C1
InChIInChI=1S/C12H19NS/c1-2-3-9-4-5-11-10(7-13)8-14-12(11)6-9/h8-9H,2-7,13H2,1H3
InChIKeyWWCVASNLLRBWJI-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
CID 53275703
methyl 6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748207
4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethanamine
CID 5307012
3-(aminomethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine;ethane
CID 177018454
(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanamine
CID 82505660
2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 2887397
(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanamine
CID 82504009
[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol
CID 42586921
3-(chloromethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 82025068
N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 114748818
N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 17173370
2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225

Frequently Asked Questions

What is the IUPAC name of (6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine?
The IUPAC name of (6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine (CID 114748520) is (6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for (6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for (6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine is CCCC1CCc2c(CN)csc2C1.
What is the InChIKey of (6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine?
The InChIKey is WWCVASNLLRBWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-3-9-4-5-11-10(7-13)8-14-12(11)6-9/h8-9H,2-7,13H2,1H3.
What are the key properties of (6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine?
(6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine has a molecular weight of 209.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 114748520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).