6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine

C17H25NS — CID 65308616

IUPAC6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
SMILESCC(C)NCCCCCCc1csc2ccccc12
InChIInChI=1S/C17H25NS/c1-14(2)18-12-8-4-3-5-9-15-13-19-17-11-7-6-10-16(15)17/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3
InChIKeyTWQQECDWWZFEQD-UHFFFAOYSA-N
MW275.46 g/mol
LogP5.00
Rot. Bonds8

About 6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine

6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine (PubChem CID 65308616) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
PubChem CID65308616
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
SMILESCC(C)NCCCCCCc1csc2ccccc12
InChIInChI=1S/C17H25NS/c1-14(2)18-12-8-4-3-5-9-15-13-19-17-11-7-6-10-16(15)17/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3
InChIKeyTWQQECDWWZFEQD-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine
CID 64503792
N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
CID 65300642
N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
CID 65308766
5-(1-benzothiophen-3-yl)pentan-2-ol
CID 64516739
3-(4-chlorobutyl)-1-benzothiophene
CID 64513988
5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine
CID 65305205
1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 63738446
3-(4-bromoheptyl)-1-benzothiophene
CID 64507607
N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033729
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine (CID 65308616) is 6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine is CC(C)NCCCCCCc1csc2ccccc12.
What is the InChIKey of 6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine?
The InChIKey is TWQQECDWWZFEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-14(2)18-12-8-4-3-5-9-15-13-19-17-11-7-6-10-16(15)17/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3.
What are the key properties of 6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine?
6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 65308616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).