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

C7H12N2S — CID 62503274

IUPACN'-thiophen-2-ylpropane-1,3-diamine
SMILESNCCCNc1cccs1
InChIInChI=1S/C7H12N2S/c8-4-2-5-9-7-3-1-6-10-7/h1,3,6,9H,2,4-5,8H2
InChIKeyXJMCXKOQRZSPBF-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.51
Rot. Bonds4

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

N'-thiophen-2-ylpropane-1,3-diamine (PubChem CID 62503274) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N'-thiophen-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-thiophen-2-ylpropane-1,3-diamine
PubChem CID62503274
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN'-thiophen-2-ylpropane-1,3-diamine
SMILESNCCCNc1cccs1
InChIInChI=1S/C7H12N2S/c8-4-2-5-9-7-3-1-6-10-7/h1,3,6,9H,2,4-5,8H2
InChIKeyXJMCXKOQRZSPBF-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.51
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

N,N-diethylethanamine;thiophen-2-ylcarbamodithioic acid
CID 118705654
3-acetylamino-N-2-thienylpropanamide
CID 139591621
Sbb059083
CID 11469178
N-Thiophen-2-ylthiourea
CID 12348171
1-(Thiophen-2-yl)piperidin-4-amine
CID 61680712
N-methylthiophen-2-amine
CID 11344002
Thienylaminobutane
CID 12181159
N,N-Dimethylthiophen-2-amine
CID 15191003
N-Ethylthiophen-2-amine
CID 15610265
Cyclohexylaminothiophene
CID 18323954
1-(Thiophen-2-yl)piperazine
CID 21950130
N-(thienyl-2)ethylenediamine
CID 54066601

Frequently Asked Questions

What is the IUPAC name of N'-thiophen-2-ylpropane-1,3-diamine?
The IUPAC name of N'-thiophen-2-ylpropane-1,3-diamine (CID 62503274) is N'-thiophen-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-thiophen-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-thiophen-2-ylpropane-1,3-diamine is NCCCNc1cccs1.
What is the InChIKey of N'-thiophen-2-ylpropane-1,3-diamine?
The InChIKey is XJMCXKOQRZSPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c8-4-2-5-9-7-3-1-6-10-7/h1,3,6,9H,2,4-5,8H2.
What are the key properties of N'-thiophen-2-ylpropane-1,3-diamine?
N'-thiophen-2-ylpropane-1,3-diamine has a molecular weight of 156.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-thiophen-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62503274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).