3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine

C14H16N2S — CID 61433428

IUPAC3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
SMILESNc1cccc(N(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C14H16N2S/c15-12-2-1-3-14(8-12)16(13-4-5-13)9-11-6-7-17-10-11/h1-3,6-8,10,13H,4-5,9,15H2
InChIKeyUYVGNSKXLUJDMB-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.50
Rot. Bonds4

About 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine

3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine (PubChem CID 61433428) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
PubChem CID61433428
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
SMILESNc1cccc(N(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C14H16N2S/c15-12-2-1-3-14(8-12)16(13-4-5-13)9-11-6-7-17-10-11/h1-3,6-8,10,13H,4-5,9,15H2
InChIKeyUYVGNSKXLUJDMB-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
3-N-cyclopropyl-5-propoxy-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 80724659
2-amino-5-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61438876
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine
CID 61433950
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 63231251
1-N-cyclopropyl-4-fluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 61434045
4-bromo-1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 55135535
3-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,3-dihydroindol-2-one
CID 61434716
4-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61434422
6-N-cyclopropyl-6-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 61434094
1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone
CID 61434320
6-bromo-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 116796613

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine (CID 61433428) is 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine is Nc1cccc(N(Cc2ccsc2)C2CC2)c1.
What is the InChIKey of 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine?
The InChIKey is UYVGNSKXLUJDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c15-12-2-1-3-14(8-12)16(13-4-5-13)9-11-6-7-17-10-11/h1-3,6-8,10,13H,4-5,9,15H2.
What are the key properties of 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine?
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine has a molecular weight of 244.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 61433428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).