N'-methyl-1-thiophen-2-ylpropane-1,3-diamine

C8H14N2S — CID 74600564

IUPACN'-methyl-1-thiophen-2-ylpropane-1,3-diamine
SMILESCNCCC(N)c1cccs1
InChIInChI=1S/C8H14N2S/c1-10-5-4-7(9)8-3-2-6-11-8/h2-3,6-7,10H,4-5,9H2,1H3
InChIKeyYHENKZBBQSLIHA-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.36
Rot. Bonds4

About N'-methyl-1-thiophen-2-ylpropane-1,3-diamine

N'-methyl-1-thiophen-2-ylpropane-1,3-diamine (PubChem CID 74600564) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N'-methyl-1-thiophen-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-thiophen-2-ylpropane-1,3-diamine
PubChem CID74600564
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN'-methyl-1-thiophen-2-ylpropane-1,3-diamine
SMILESCNCCC(N)c1cccs1
InChIInChI=1S/C8H14N2S/c1-10-5-4-7(9)8-3-2-6-11-8/h2-3,6-7,10H,4-5,9H2,1H3
InChIKeyYHENKZBBQSLIHA-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 89397451
3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185
5-amino-5-thiophen-2-ylpentan-2-one
CID 116940647
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
CID 84753072
2-amino-N-methyl-N-[2-(methylamino)ethyl]-2-thiophen-2-ylacetamide
CID 115287330
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
4-amino-4-thiophen-2-ylbutanamide
CID 60860619

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-thiophen-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-1-thiophen-2-ylpropane-1,3-diamine (CID 74600564) is N'-methyl-1-thiophen-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-thiophen-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-1-thiophen-2-ylpropane-1,3-diamine is CNCCC(N)c1cccs1.
What is the InChIKey of N'-methyl-1-thiophen-2-ylpropane-1,3-diamine?
The InChIKey is YHENKZBBQSLIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-10-5-4-7(9)8-3-2-6-11-8/h2-3,6-7,10H,4-5,9H2,1H3.
What are the key properties of N'-methyl-1-thiophen-2-ylpropane-1,3-diamine?
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine has a molecular weight of 170.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-thiophen-2-ylpropane-1,3-diamine is sourced from PubChem (CID 74600564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).