N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C14H26N2S — CID 55051533

IUPACN,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC)CN(C)Cc1cccs1
InChIInChI=1S/C14H26N2S/c1-5-8-14(2,11-15-3)12-16(4)10-13-7-6-9-17-13/h6-7,9,15H,5,8,10-12H2,1-4H3
InChIKeyNRQFACULICTLIZ-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.21
Rot. Bonds8

About N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 55051533) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID55051533
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC)CN(C)Cc1cccs1
InChIInChI=1S/C14H26N2S/c1-5-8-14(2,11-15-3)12-16(4)10-13-7-6-9-17-13/h6-7,9,15H,5,8,10-12H2,1-4H3
InChIKeyNRQFACULICTLIZ-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258016
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N,N',2-trimethyl-N'-[(3-methylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 62271541
2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 63492986
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876
N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261090
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
2-[3-(chloromethyl)-3-methylhexyl]thiophene
CID 66034465
2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891
2-methyl-N-propan-2-yl-2-(thiophen-2-ylmethyl)pentan-1-amine
CID 62725024
2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
CID 55237684
1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol
CID 62337356

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 55051533) is N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CCCC(C)(CNC)CN(C)Cc1cccs1.
What is the InChIKey of N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is NRQFACULICTLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-8-14(2,11-15-3)12-16(4)10-13-7-6-9-17-13/h6-7,9,15H,5,8,10-12H2,1-4H3.
What are the key properties of N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 55051533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).