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

C14H23BrN2S — CID 79409590

IUPAC3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H23BrN2S/c1-10(7-16-13-4-5-13)11(2)17(3)8-12-6-14(15)18-9-12/h6,9-11,13,16H,4-5,7-8H2,1-3H3
InChIKeyQXVRFFGUEWVJRZ-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.72
Rot. Bonds7

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

3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine (PubChem CID 79409590) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
PubChem CID79409590
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H23BrN2S/c1-10(7-16-13-4-5-13)11(2)17(3)8-12-6-14(15)18-9-12/h6,9-11,13,16H,4-5,7-8H2,1-3H3
InChIKeyQXVRFFGUEWVJRZ-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine with MolForge

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62260869
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 79494865
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391516
3-N-[(4-bromophenyl)methyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011392
N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
CID 62287412
1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine
CID 79415031
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568713
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62463688
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide
CID 91660173
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62461899
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62463683
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine (CID 79409590) is 3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine is CC(CNC1CC1)C(C)N(C)Cc1csc(Br)c1.
What is the InChIKey of 3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine?
The InChIKey is QXVRFFGUEWVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-10(7-16-13-4-5-13)11(2)17(3)8-12-6-14(15)18-9-12/h6,9-11,13,16H,4-5,7-8H2,1-3H3.
What are the key properties of 3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine?
3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine has a molecular weight of 331.32 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 79409590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).