N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine

C8H14N2S — CID 115227113

IUPACN-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
SMILESCNCNCCc1cccs1
InChIInChI=1S/C8H14N2S/c1-9-7-10-5-4-8-3-2-6-11-8/h2-3,6,9-10H,4-5,7H2,1H3
InChIKeyVQSWZBUICLUPNX-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.06
Rot. Bonds5

About N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine

N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine (PubChem CID 115227113) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
PubChem CID115227113
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
SMILESCNCNCCc1cccs1
InChIInChI=1S/C8H14N2S/c1-9-7-10-5-4-8-3-2-6-11-8/h2-3,6,9-10H,4-5,7H2,1H3
InChIKeyVQSWZBUICLUPNX-UHFFFAOYSA-N
XLogP1.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine
CID 60695451
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine
CID 104806086
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine?
The IUPAC name of N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine (CID 115227113) is N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine.
What is the SMILES notation for N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine?
The canonical SMILES for N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine is CNCNCCc1cccs1.
What is the InChIKey of N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine?
The InChIKey is VQSWZBUICLUPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-9-7-10-5-4-8-3-2-6-11-8/h2-3,6,9-10H,4-5,7H2,1H3.
What are the key properties of N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine?
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine has a molecular weight of 170.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine is sourced from PubChem (CID 115227113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).