1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine

C16H22N2S2 — CID 74218144

IUPAC1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
SMILESc1csc(CNC2CCCCC2NCc2cccs2)c1
InChIInChI=1S/C16H22N2S2/c1-2-8-16(18-12-14-6-4-10-20-14)15(7-1)17-11-13-5-3-9-19-13/h3-6,9-10,15-18H,1-2,7-8,11-12H2
InChIKeyNUEHZAHSWVRWIV-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.00
Rot. Bonds6

About 1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine

1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 74218144) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
PubChem CID74218144
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC Name1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
SMILESc1csc(CNC2CCCCC2NCc2cccs2)c1
InChIInChI=1S/C16H22N2S2/c1-2-8-16(18-12-14-6-4-10-20-14)15(7-1)17-11-13-5-3-9-19-13/h3-6,9-10,15-18H,1-2,7-8,11-12H2
InChIKeyNUEHZAHSWVRWIV-UHFFFAOYSA-N
XLogP4.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bis((thiophen-2-yl)methyl)amine
CID 252453
1-(Thien-2-ylmethyl)piperazine
CID 566208
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CID 339554
Di-2-thenylamine hydrochloride
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N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
2-Thiophen-2-yl-piperazine
CID 2771726
N,N'-bis[3-(thiophen-2-ylmethylamino)propyl]heptane-1,7-diamine;tetrahydrochloride
CID 14791339
1,4-Cyclohexanebis(methylamine), N,N'-bis(2-thienylmethyl)-, dihydrochloride
CID 71056
2-(Azepan-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 16461932
2-(Thiophen-2-yl)piperazine dihydrochloride
CID 71779098

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine (CID 74218144) is 1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine is c1csc(CNC2CCCCC2NCc2cccs2)c1.
What is the InChIKey of 1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is NUEHZAHSWVRWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-2-8-16(18-12-14-6-4-10-20-14)15(7-1)17-11-13-5-3-9-19-13/h3-6,9-10,15-18H,1-2,7-8,11-12H2.
What are the key properties of 1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine?
1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 306.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 74218144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).