N-hex-5-en-2-yl-1-benzothiophen-5-amine

C14H17NS — CID 104655467

IUPACN-hex-5-en-2-yl-1-benzothiophen-5-amine
SMILESC=CCCC(C)Nc1ccc2sccc2c1
InChIInChI=1S/C14H17NS/c1-3-4-5-11(2)15-13-6-7-14-12(10-13)8-9-16-14/h3,6-11,15H,1,4-5H2,2H3
InChIKeyXWGATQYIOYBWNM-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.67
Rot. Bonds5

About N-hex-5-en-2-yl-1-benzothiophen-5-amine

N-hex-5-en-2-yl-1-benzothiophen-5-amine (PubChem CID 104655467) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-hex-5-en-2-yl-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-1-benzothiophen-5-amine
PubChem CID104655467
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-hex-5-en-2-yl-1-benzothiophen-5-amine
SMILESC=CCCC(C)Nc1ccc2sccc2c1
InChIInChI=1S/C14H17NS/c1-3-4-5-11(2)15-13-6-7-14-12(10-13)8-9-16-14/h3,6-11,15H,1,4-5H2,2H3
InChIKeyXWGATQYIOYBWNM-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
CID 104655447
2-(1-benzothiophen-5-ylamino)propanoic acid
CID 65475467
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262
4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
CID 107270538
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine
CID 104584102
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583862

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-1-benzothiophen-5-amine?
The IUPAC name of N-hex-5-en-2-yl-1-benzothiophen-5-amine (CID 104655467) is N-hex-5-en-2-yl-1-benzothiophen-5-amine.
What is the SMILES notation for N-hex-5-en-2-yl-1-benzothiophen-5-amine?
The canonical SMILES for N-hex-5-en-2-yl-1-benzothiophen-5-amine is C=CCCC(C)Nc1ccc2sccc2c1.
What is the InChIKey of N-hex-5-en-2-yl-1-benzothiophen-5-amine?
The InChIKey is XWGATQYIOYBWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-4-5-11(2)15-13-6-7-14-12(10-13)8-9-16-14/h3,6-11,15H,1,4-5H2,2H3.
What are the key properties of N-hex-5-en-2-yl-1-benzothiophen-5-amine?
N-hex-5-en-2-yl-1-benzothiophen-5-amine has a molecular weight of 231.36 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-1-benzothiophen-5-amine is sourced from PubChem (CID 104655467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).