4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

C16H22N2S — CID 65381961

IUPAC4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCC(CC(CN)NCc1cccs1)c1ccccc1
InChIInChI=1S/C16H22N2S/c1-13(14-6-3-2-4-7-14)10-15(11-17)18-12-16-8-5-9-19-16/h2-9,13,15,18H,10-12,17H2,1H3
InChIKeyJIBYAXZDDQBUJD-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.36
Rot. Bonds7

About 4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (PubChem CID 65381961) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
PubChem CID65381961
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCC(CC(CN)NCc1cccs1)c1ccccc1
InChIInChI=1S/C16H22N2S/c1-13(14-6-3-2-4-7-14)10-15(11-17)18-12-16-8-5-9-19-16/h2-9,13,15,18H,10-12,17H2,1H3
InChIKeyJIBYAXZDDQBUJD-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379566
(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 10220540
4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 106675725
2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine
CID 113464327
2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
CID 83010931
1,2-diphenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43079612
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine
CID 115641765
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379558
2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine
CID 65385753
amino-(thiophen-2-ylmethylamino)methanol
CID 138478180
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (CID 65381961) is 4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is CC(CC(CN)NCc1cccs1)c1ccccc1.
What is the InChIKey of 4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The InChIKey is JIBYAXZDDQBUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-13(14-6-3-2-4-7-14)10-15(11-17)18-12-16-8-5-9-19-16/h2-9,13,15,18H,10-12,17H2,1H3.
What are the key properties of 4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 65381961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).