1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C8H14N2S — CID 61150337

IUPAC1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCC(N)CNCc1cccs1
InChIInChI=1S/C8H14N2S/c1-7(9)5-10-6-8-3-2-4-11-8/h2-4,7,10H,5-6,9H2,1H3
InChIKeyMZQBOEIRRSYUNU-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.18
Rot. Bonds4

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

1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 61150337) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID61150337
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCC(N)CNCc1cccs1
InChIInChI=1S/C8H14N2S/c1-7(9)5-10-6-8-3-2-4-11-8/h2-4,7,10H,5-6,9H2,1H3
InChIKeyMZQBOEIRRSYUNU-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513122
2-methyl-3-(thiophen-2-ylmethylamino)propanamide
CID 43312177
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106512291
5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
CID 111498599
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 107757818
2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55089239

Frequently Asked Questions

What is the IUPAC name of 1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 61150337) is 1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CC(N)CNCc1cccs1.
What is the InChIKey of 1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is MZQBOEIRRSYUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-7(9)5-10-6-8-3-2-4-11-8/h2-4,7,10H,5-6,9H2,1H3.
What are the key properties of 1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 170.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 61150337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).