N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine

C10H16N2S — CID 115206808

IUPACN-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccsc1NCCNC1CC1
InChIInChI=1S/C10H16N2S/c1-8-4-7-13-10(8)12-6-5-11-9-2-3-9/h4,7,9,11-12H,2-3,5-6H2,1H3
InChIKeyUSJABGLIIHLAIJ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.22
Rot. Bonds5

About N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine

N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 115206808) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID115206808
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccsc1NCCNC1CC1
InChIInChI=1S/C10H16N2S/c1-8-4-7-13-10(8)12-6-5-11-9-2-3-9/h4,7,9,11-12H,2-3,5-6H2,1H3
InChIKeyUSJABGLIIHLAIJ-UHFFFAOYSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.22
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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Related Compounds

2-[(3-methylthiophen-2-yl)amino]ethanethiol
CID 115223746
4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine
CID 115149897
N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62663409
N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine
CID 115897898
N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine
CID 102838929
3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257713
N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 115206791
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine
CID 62663579
ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate
CID 115149178
N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 102765283
N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine
CID 79340845

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine (CID 115206808) is N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine is Cc1ccsc1NCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is USJABGLIIHLAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8-4-7-13-10(8)12-6-5-11-9-2-3-9/h4,7,9,11-12H,2-3,5-6H2,1H3.
What are the key properties of N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 196.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115206808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).