N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine

C14H24BrNS — CID 63421410

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)c1ccc(Br)s1
InChIInChI=1S/C14H24BrNS/c1-10(2)6-5-7-11(3)16-12(4)13-8-9-14(15)17-13/h8-12,16H,5-7H2,1-4H3
InChIKeyVTMXSJWEVJKZHG-UHFFFAOYSA-N
MW318.32 g/mol
LogP5.38
Rot. Bonds7

About N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine (PubChem CID 63421410) has the molecular formula C14H24BrNS and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
PubChem CID63421410
Molecular FormulaC14H24BrNS
Molecular Weight318.32 g/mol
Exact Mass317.08
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)c1ccc(Br)s1
InChIInChI=1S/C14H24BrNS/c1-10(2)6-5-7-11(3)16-12(4)13-8-9-14(15)17-13/h8-12,16H,5-7H2,1-4H3
InChIKeyVTMXSJWEVJKZHG-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.32
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 97051516
3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721712
N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
CID 104652163
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine
CID 63455141
N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
CID 60781481
2-bromo-5-(1-bromo-3-methylbutyl)thiophene
CID 63444379
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047343
N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962436
1-(5-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949847

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine (CID 63421410) is N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine is CC(C)CCCC(C)NC(C)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine?
The InChIKey is VTMXSJWEVJKZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNS/c1-10(2)6-5-7-11(3)16-12(4)13-8-9-14(15)17-13/h8-12,16H,5-7H2,1-4H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine has a molecular weight of 318.32 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine is sourced from PubChem (CID 63421410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).