N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine

C10H18N2S — CID 2060372

IUPACN',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCN(C)CCCNCc1cccs1
InChIInChI=1S/C10H18N2S/c1-12(2)7-4-6-11-9-10-5-3-8-13-10/h3,5,8,11H,4,6-7,9H2,1-2H3
InChIKeyWNDWOEWEQBGZIE-UHFFFAOYSA-N
MW198.34 g/mol
LogP1.79
Rot. Bonds6

About N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine

N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 2060372) has the molecular formula C10H18N2S and a molecular weight of 198.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID2060372
Molecular FormulaC10H18N2S
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC NameN',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCN(C)CCCNCc1cccs1
InChIInChI=1S/C10H18N2S/c1-12(2)7-4-6-11-9-10-5-3-8-13-10/h3,5,8,11H,4,6-7,9H2,1-2H3
InChIKeyWNDWOEWEQBGZIE-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
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',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 2060372) is N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine is CN(C)CCCNCc1cccs1.
What is the InChIKey of N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is WNDWOEWEQBGZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-12(2)7-4-6-11-9-10-5-3-8-13-10/h3,5,8,11H,4,6-7,9H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 198.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 2060372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).