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

C16H22N2S2 — CID 142764923

IUPACtrans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C16H22N2S2/c17-15-7-1-2-8-16(15)18(11-13-5-3-9-19-13)12-14-6-4-10-20-14/h3-6,9-10,15-16H,1-2,7-8,11-12,17H2/t15-,16-/m1/s1
InChIKeySRCPTKFEJOCDMQ-HZPDHXFCSA-N
MW306.50 g/mol
LogP4.08
Rot. Bonds5

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

trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 142764923) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
PubChem CID142764923
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC Nametrans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C16H22N2S2/c17-15-7-1-2-8-16(15)18(11-13-5-3-9-19-13)12-14-6-4-10-20-14/h3-6,9-10,15-16H,1-2,7-8,11-12,17H2/t15-,16-/m1/s1
InChIKeySRCPTKFEJOCDMQ-HZPDHXFCSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine (CID 142764923) is trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is SRCPTKFEJOCDMQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H22N2S2/c17-15-7-1-2-8-16(15)18(11-13-5-3-9-19-13)12-14-6-4-10-20-14/h3-6,9-10,15-16H,1-2,7-8,11-12,17H2/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 306.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N,2-N-bis(thiophen-2-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 142764923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).