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

C14H19NS — CID 60704533

IUPACN-(1-benzothiophen-3-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCc1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-3-6-11(2)15-9-12-10-16-14-8-5-4-7-13(12)14/h4-5,7-8,10-11,15H,3,6,9H2,1-2H3
InChIKeyMZIDDMJNKOXINP-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.18
Rot. Bonds5

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

N-(1-benzothiophen-3-ylmethyl)pentan-2-amine (PubChem CID 60704533) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)pentan-2-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)pentan-2-amine
PubChem CID60704533
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-(1-benzothiophen-3-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCc1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-3-6-11(2)15-9-12-10-16-14-8-5-4-7-13(12)14/h4-5,7-8,10-11,15H,3,6,9H2,1-2H3
InChIKeyMZIDDMJNKOXINP-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)hexan-3-amine
CID 62698113
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62697930
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944902
N-(1-benzothiophen-3-ylmethyl)pent-4-en-2-amine
CID 115633123
5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine
CID 64503792
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
N-(1-benzothiophen-3-ylmethyl)pent-1-yn-3-amine
CID 106224711
1-(1-benzothiophen-3-yl)-3-propylhexan-2-one
CID 114965645
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine
CID 81353422

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)pentan-2-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)pentan-2-amine (CID 60704533) is N-(1-benzothiophen-3-ylmethyl)pentan-2-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)pentan-2-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)pentan-2-amine is CCCC(C)NCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)pentan-2-amine?
The InChIKey is MZIDDMJNKOXINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-6-11(2)15-9-12-10-16-14-8-5-4-7-13(12)14/h4-5,7-8,10-11,15H,3,6,9H2,1-2H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)pentan-2-amine?
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine has a molecular weight of 233.38 g/mol, XLogP of 4.18, 5 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)pentan-2-amine is sourced from PubChem (CID 60704533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).