2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine

C11H17BrN2S — CID 119929049

IUPAC2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine
SMILESCC(CN)(NCc1csc(Br)c1)C1CC1
InChIInChI=1S/C11H17BrN2S/c1-11(7-13,9-2-3-9)14-5-8-4-10(12)15-6-8/h4,6,9,14H,2-3,5,7,13H2,1H3
InChIKeyDWEJETVDSNGBFU-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.73
Rot. Bonds5

About 2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine

2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine (PubChem CID 119929049) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine
PubChem CID119929049
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine
SMILESCC(CN)(NCc1csc(Br)c1)C1CC1
InChIInChI=1S/C11H17BrN2S/c1-11(7-13,9-2-3-9)14-5-8-4-10(12)15-6-8/h4,6,9,14H,2-3,5,7,13H2,1H3
InChIKeyDWEJETVDSNGBFU-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-3-yl)methylamino]-2-methylpropanoic acid
CID 65263960
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 115685147
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromothiophene-2-carboxamide;hydrochloride
CID 119572469
N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
CID 130941284
N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115709428
(5-bromothiophen-3-yl)methanamine
CID 23533436
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694
[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol
CID 111468945
(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol
CID 131089932

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine?
The IUPAC name of 2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine (CID 119929049) is 2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine is CC(CN)(NCc1csc(Br)c1)C1CC1.
What is the InChIKey of 2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine?
The InChIKey is DWEJETVDSNGBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-11(7-13,9-2-3-9)14-5-8-4-10(12)15-6-8/h4,6,9,14H,2-3,5,7,13H2,1H3.
What are the key properties of 2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine?
2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine has a molecular weight of 289.24 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropylpropane-1,2-diamine is sourced from PubChem (CID 119929049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).