N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine

C16H22N2S — CID 107364753

IUPACN'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine
SMILESCc1ccsc1CN(CCCN)Cc1ccccc1
InChIInChI=1S/C16H22N2S/c1-14-8-11-19-16(14)13-18(10-5-9-17)12-15-6-3-2-4-7-15/h2-4,6-8,11H,5,9-10,12-13,17H2,1H3
InChIKeyNRBCZFSVQBKPQZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.41
Rot. Bonds7

About N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine

N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine (PubChem CID 107364753) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine
PubChem CID107364753
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine
SMILESCc1ccsc1CN(CCCN)Cc1ccccc1
InChIInChI=1S/C16H22N2S/c1-14-8-11-19-16(14)13-18(10-5-9-17)12-15-6-3-2-4-7-15/h2-4,6-8,11H,5,9-10,12-13,17H2,1H3
InChIKeyNRBCZFSVQBKPQZ-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912634
N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 107365130
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide
CID 71214568
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 46986157
3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115882869
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine (CID 107364753) is N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine is Cc1ccsc1CN(CCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine?
The InChIKey is NRBCZFSVQBKPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-14-8-11-19-16(14)13-18(10-5-9-17)12-15-6-3-2-4-7-15/h2-4,6-8,11H,5,9-10,12-13,17H2,1H3.
What are the key properties of N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine?
N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine has a molecular weight of 274.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 107364753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).