N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C15H27ClN2S — CID 62256088

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H27ClN2S/c1-12(2)8-17-10-15(3,4)11-18(5)9-13-6-7-14(16)19-13/h6-7,12,17H,8-11H2,1-5H3
InChIKeyHBOFTUHBCHSRJG-UHFFFAOYSA-N
MW302.92 g/mol
LogP4.11
Rot. Bonds8

About N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine

N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62256088) has the molecular formula C15H27ClN2S and a molecular weight of 302.92 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62256088
Molecular FormulaC15H27ClN2S
Molecular Weight302.92 g/mol
Exact Mass302.16
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H27ClN2S/c1-12(2)8-17-10-15(3,4)11-18(5)9-13-6-7-14(16)19-13/h6-7,12,17H,8-11H2,1-5H3
InChIKeyHBOFTUHBCHSRJG-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 ≤ 500302.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62270448
N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556559
4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034530
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260624
1-(5-chlorothiophen-2-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66002664
N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260009
N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
CID 63494592
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N,3,3-trimethylbutane-1,2-diamine
CID 112555955
N'-[(5-chlorothiophen-2-yl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253875

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62256088) is N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CNCC(C)(C)CN(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is HBOFTUHBCHSRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2S/c1-12(2)8-17-10-15(3,4)11-18(5)9-13-6-7-14(16)19-13/h6-7,12,17H,8-11H2,1-5H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 302.92 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-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62256088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).