N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

C18H26N2S — CID 62612607

IUPACN'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCCCNC(CCN(C)Cc1ccsc1)c1ccccc1
InChIInChI=1S/C18H26N2S/c1-3-11-19-18(17-7-5-4-6-8-17)9-12-20(2)14-16-10-13-21-15-16/h4-8,10,13,15,18-19H,3,9,11-12,14H2,1-2H3
InChIKeyATAILJOWFUFCEJ-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.31
Rot. Bonds9

About N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (PubChem CID 62612607) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
PubChem CID62612607
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCCCNC(CCN(C)Cc1ccsc1)c1ccccc1
InChIInChI=1S/C18H26N2S/c1-3-11-19-18(17-7-5-4-6-8-17)9-12-20(2)14-16-10-13-21-15-16/h4-8,10,13,15,18-19H,3,9,11-12,14H2,1-2H3
InChIKeyATAILJOWFUFCEJ-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
N'-[(5-bromothiophen-3-yl)methyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62612461
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (CID 62612607) is N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is CCCNC(CCN(C)Cc1ccsc1)c1ccccc1.
What is the InChIKey of N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The InChIKey is ATAILJOWFUFCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-3-11-19-18(17-7-5-4-6-8-17)9-12-20(2)14-16-10-13-21-15-16/h4-8,10,13,15,18-19H,3,9,11-12,14H2,1-2H3.
What are the key properties of N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine has a molecular weight of 302.49 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62612607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).