N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine

C18H26N2S — CID 107364937

IUPACN'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine
SMILESCC(C)C(c1cccs1)N(CCCN)Cc1ccccc1
InChIInChI=1S/C18H26N2S/c1-15(2)18(17-10-6-13-21-17)20(12-7-11-19)14-16-8-4-3-5-9-16/h3-6,8-10,13,15,18H,7,11-12,14,19H2,1-2H3
InChIKeyJYVHBHZNTHVWQM-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.30
Rot. Bonds8

About N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine

N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine (PubChem CID 107364937) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine
PubChem CID107364937
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine
SMILESCC(C)C(c1cccs1)N(CCCN)Cc1ccccc1
InChIInChI=1S/C18H26N2S/c1-15(2)18(17-10-6-13-21-17)20(12-7-11-19)14-16-8-4-3-5-9-16/h3-6,8-10,13,15,18H,7,11-12,14,19H2,1-2H3
InChIKeyJYVHBHZNTHVWQM-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-[1-(4-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 107365176
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
4-[benzyl(1-thiophen-2-ylethyl)amino]butanoic acid
CID 119135028
3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 14596217
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
N'-benzyl-N'-pent-1-yn-3-ylpropane-1,3-diamine
CID 107367944
2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide
CID 107367320
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 81493847
N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 65295753
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine (CID 107364937) is N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine is CC(C)C(c1cccs1)N(CCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine?
The InChIKey is JYVHBHZNTHVWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-15(2)18(17-10-6-13-21-17)20(12-7-11-19)14-16-8-4-3-5-9-16/h3-6,8-10,13,15,18H,7,11-12,14,19H2,1-2H3.
What are the key properties of N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine?
N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine has a molecular weight of 302.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine is sourced from PubChem (CID 107364937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).