N-(1-benzothiophen-3-ylmethyl)hexan-3-amine

C15H21NS — CID 62698113

IUPACN-(1-benzothiophen-3-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCc1csc2ccccc12
InChIInChI=1S/C15H21NS/c1-3-7-13(4-2)16-10-12-11-17-15-9-6-5-8-14(12)15/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3
InChIKeyJKDRQJRTQHYFTR-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.57
Rot. Bonds6

About N-(1-benzothiophen-3-ylmethyl)hexan-3-amine

N-(1-benzothiophen-3-ylmethyl)hexan-3-amine (PubChem CID 62698113) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)hexan-3-amine
PubChem CID62698113
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-(1-benzothiophen-3-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCc1csc2ccccc12
InChIInChI=1S/C15H21NS/c1-3-7-13(4-2)16-10-12-11-17-15-9-6-5-8-14(12)15/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3
InChIKeyJKDRQJRTQHYFTR-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine
CID 106224711
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
CID 63737912
3-(1-benzothiophen-3-ylmethylamino)-4-methylsulfanylbutan-1-ol
CID 111449640
N-(1-benzothiophen-3-ylmethyl)-1-chloro-4-methoxybutan-2-amine
CID 114210220
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
N-(1-benzothiophen-3-ylmethyl)-1-chloro-3-phenylpropan-2-amine
CID 65026043

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)hexan-3-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)hexan-3-amine (CID 62698113) is N-(1-benzothiophen-3-ylmethyl)hexan-3-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)hexan-3-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)hexan-3-amine is CCCC(CC)NCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)hexan-3-amine?
The InChIKey is JKDRQJRTQHYFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-3-7-13(4-2)16-10-12-11-17-15-9-6-5-8-14(12)15/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)hexan-3-amine?
N-(1-benzothiophen-3-ylmethyl)hexan-3-amine has a molecular weight of 247.41 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)hexan-3-amine is sourced from PubChem (CID 62698113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).