1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine

C13H22BrNS — CID 80536067

IUPAC1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1sccc1Br)C(C)(C)CC
InChIInChI=1S/C13H22BrNS/c1-5-8-15-12(13(3,4)6-2)11-10(14)7-9-16-11/h7,9,12,15H,5-6,8H2,1-4H3
InChIKeyBNCMBMIDBLGDHC-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.99
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine

1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 80536067) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID80536067
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1sccc1Br)C(C)(C)CC
InChIInChI=1S/C13H22BrNS/c1-5-8-15-12(13(3,4)6-2)11-10(14)7-9-16-11/h7,9,12,15H,5-6,8H2,1-4H3
InChIKeyBNCMBMIDBLGDHC-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-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

1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 80535785
1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028723
3-bromo-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80535903
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116760824
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
N-[(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 80535679
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
N-[(3-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380872
N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 63797565

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine (CID 80536067) is 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine is CCCNC(c1sccc1Br)C(C)(C)CC.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is BNCMBMIDBLGDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-5-8-15-12(13(3,4)6-2)11-10(14)7-9-16-11/h7,9,12,15H,5-6,8H2,1-4H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine?
1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine has a molecular weight of 304.30 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 80536067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).