N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine

C11H19BrN2S — CID 115197588

IUPACN'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine
SMILESCC(C)(CNCCCN)c1cc(Br)cs1
InChIInChI=1S/C11H19BrN2S/c1-11(2,8-14-5-3-4-13)10-6-9(12)7-15-10/h6-7,14H,3-5,8,13H2,1-2H3
InChIKeyOMSCXDYIVSCIHM-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.73
Rot. Bonds6

About N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine

N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine (PubChem CID 115197588) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine
PubChem CID115197588
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC NameN'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine
SMILESCC(C)(CNCCCN)c1cc(Br)cs1
InChIInChI=1S/C11H19BrN2S/c1-11(2,8-14-5-3-4-13)10-6-9(12)7-15-10/h6-7,14H,3-5,8,13H2,1-2H3
InChIKeyOMSCXDYIVSCIHM-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203523
3-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135077
4-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]aniline
CID 115212607
3-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-2,2-dimethylpropanenitrile
CID 115234386
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197606
4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 115156184
2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133068
2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210070
4-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-3-hydroxybutanoic acid
CID 115123172
4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine
CID 115149941
[3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol
CID 115249158
2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol
CID 82297708

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine?
The IUPAC name of N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine (CID 115197588) is N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine is CC(C)(CNCCCN)c1cc(Br)cs1.
What is the InChIKey of N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine?
The InChIKey is OMSCXDYIVSCIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-11(2,8-14-5-3-4-13)10-6-9(12)7-15-10/h6-7,14H,3-5,8,13H2,1-2H3.
What are the key properties of N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine?
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine has a molecular weight of 291.26 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine is sourced from PubChem (CID 115197588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).