N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine

C13H22BrNS — CID 63452371

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NCc1ccc(Br)s1
InChIInChI=1S/C13H22BrNS/c1-4-10(3)8-11(5-2)15-9-12-6-7-13(14)16-12/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyGHQWTRFEUGATSE-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.82
Rot. Bonds7

About N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine

N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine (PubChem CID 63452371) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine
PubChem CID63452371
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NCc1ccc(Br)s1
InChIInChI=1S/C13H22BrNS/c1-4-10(3)8-11(5-2)15-9-12-6-7-13(14)16-12/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyGHQWTRFEUGATSE-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340
(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine
CID 61282170
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine
CID 64917586
N-[(5-bromothiophen-2-yl)methyl]heptan-2-amine
CID 43399889
(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 78921804
2-N-[(5-bromothiophen-2-yl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109681
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63247789
(2S)-2-[(5-bromothiophen-2-yl)methylamino]-4-methylpentanoic acid
CID 120510995

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine (CID 63452371) is N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine is CCC(C)CC(CC)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine?
The InChIKey is GHQWTRFEUGATSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-4-10(3)8-11(5-2)15-9-12-6-7-13(14)16-12/h6-7,10-11,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine?
N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine has a molecular weight of 304.30 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine is sourced from PubChem (CID 63452371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).