N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine

C11H18BrNS — CID 102830099

IUPACN-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cc(Br)c(C)s1
InChIInChI=1S/C11H18BrNS/c1-4-5-8(2)13-7-10-6-11(12)9(3)14-10/h6,8,13H,4-5,7H2,1-3H3
InChIKeyLWIAPLDYLHDQKF-UHFFFAOYSA-N
MW276.24 g/mol
LogP4.10
Rot. Bonds5

About N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine

N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine (PubChem CID 102830099) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine
PubChem CID102830099
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cc(Br)c(C)s1
InChIInChI=1S/C11H18BrNS/c1-4-5-8(2)13-7-10-6-11(12)9(3)14-10/h6,8,13H,4-5,7H2,1-3H3
InChIKeyLWIAPLDYLHDQKF-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 102836538
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol
CID 102831611
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine
CID 115750295
2-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102837149
N-[(4-bromo-5-methylthiophen-2-yl)methyl]hex-1-yn-3-amine
CID 106226201
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 102835924
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 102833458
3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 114115104
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 102833535
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
CID 102836741
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylpentan-3-amine
CID 106328072

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine (CID 102830099) is N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine is CCCC(C)NCc1cc(Br)c(C)s1.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine?
The InChIKey is LWIAPLDYLHDQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-4-5-8(2)13-7-10-6-11(12)9(3)14-10/h6,8,13H,4-5,7H2,1-3H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine?
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine has a molecular weight of 276.24 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 102830099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).