N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C7H12N2S — CID 12595198

IUPACN'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1cccs1
InChIInChI=1S/C7H12N2S/c8-3-4-9-6-7-2-1-5-10-7/h1-2,5,9H,3-4,6,8H2
InChIKeyPMVKNSKIASQUCS-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.80
Rot. Bonds4

About N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 12595198) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID12595198
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1cccs1
InChIInChI=1S/C7H12N2S/c8-3-4-9-6-7-2-1-5-10-7/h1-2,5,9H,3-4,6,8H2
InChIKeyPMVKNSKIASQUCS-UHFFFAOYSA-N
XLogP0.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 12595198) is N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is NCCNCc1cccs1.
What is the InChIKey of N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is PMVKNSKIASQUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c8-3-4-9-6-7-2-1-5-10-7/h1-2,5,9H,3-4,6,8H2.
What are the key properties of N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 156.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 12595198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).