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

C15H25BrN2S — CID 62260869

IUPACN-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(C)Cc1csc(Br)c1
InChIInChI=1S/C15H25BrN2S/c1-4-15(2,10-17-13-5-6-13)11-18(3)8-12-7-14(16)19-9-12/h7,9,13,17H,4-6,8,10-11H2,1-3H3
InChIKeyGCVPKGIXYXTBGK-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.11
Rot. Bonds8

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

N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine (PubChem CID 62260869) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
PubChem CID62260869
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(C)Cc1csc(Br)c1
InChIInChI=1S/C15H25BrN2S/c1-4-15(2,10-17-13-5-6-13)11-18(3)8-12-7-14(16)19-9-12/h7,9,13,17H,4-6,8,10-11H2,1-3H3
InChIKeyGCVPKGIXYXTBGK-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62259472
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol
CID 115919436
N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271920
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62557712
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-propylpropane-1,3-diamine
CID 62263465
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391516
N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260009
N'-[(5-bromothiophen-3-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928808
3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
CID 79409590
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62463688
4-[(5-bromothiophen-3-yl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66452184
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864351

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine (CID 62260869) is N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine is CCC(C)(CNC1CC1)CN(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine?
The InChIKey is GCVPKGIXYXTBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-4-15(2,10-17-13-5-6-13)11-18(3)8-12-7-14(16)19-9-12/h7,9,13,17H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine?
N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine has a molecular weight of 345.35 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62260869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).