N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

C10H16N2S — CID 79278997

IUPACN-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESC=CCNCCNCc1ccsc1
InChIInChI=1S/C10H16N2S/c1-2-4-11-5-6-12-8-10-3-7-13-9-10/h2-3,7,9,11-12H,1,4-6,8H2
InChIKeyAVMSKKLWMXRICT-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.61
Rot. Bonds7

About N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 79278997) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID79278997
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESC=CCNCCNCc1ccsc1
InChIInChI=1S/C10H16N2S/c1-2-4-11-5-6-12-8-10-3-7-13-9-10/h2-3,7,9,11-12H,1,4-6,8H2
InChIKeyAVMSKKLWMXRICT-UHFFFAOYSA-N
XLogP1.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine
CID 103647779
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 79279865
5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 107320001
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
N-(2-thiophen-3-ylethyl)hept-6-en-1-amine
CID 107006689
4,4-dimethyl-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 115642825
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide
CID 77031240

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 79278997) is N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is C=CCNCCNCc1ccsc1.
What is the InChIKey of N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is AVMSKKLWMXRICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-4-11-5-6-12-8-10-3-7-13-9-10/h2-3,7,9,11-12H,1,4-6,8H2.
What are the key properties of N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 196.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 79278997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).