trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine

C11H16N2S — CID 126715747

IUPACtrans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1/N=C/c1cccs1
InChIInChI=1S/C11H16N2S/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h3-4,7-8,10-11H,1-2,5-6,12H2/b13-8+/t10-,11-/m1/s1
InChIKeyTVKIAAXXOUECMT-BOXMQNKESA-N
MW208.33 g/mol
LogP2.44
Rot. Bonds2

About trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine

trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine (PubChem CID 126715747) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine
PubChem CID126715747
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Nametrans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1/N=C/c1cccs1
InChIInChI=1S/C11H16N2S/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h3-4,7-8,10-11H,1-2,5-6,12H2/b13-8+/t10-,11-/m1/s1
InChIKeyTVKIAAXXOUECMT-BOXMQNKESA-N
XLogP2.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-(1r,2r)-cyclohexane-1,2-diylbis[1-(thiene-2-yl)methanimine]
CID 9972196
N^1^,N^4^-Bis(2-thienylmethylene)cyclohexane-1,4-diamine
CID 139077473
2-(piperazin-1-yl)-N-(thiophen-2-ylmethylene)ethanamine
CID 171715999
Thiophene-3-thiol, 2-cyclohexyliminomethyl-
CID 566472
1-thiophen-2-yl-N-[2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine
CID 5251534
acetylthiophene N-cyclohexylimine
CID 11830624
N-cyclohexyl-1-thiophen-2-ylmethanimine
CID 12467160
5-Thiophen-2-yl-1,2,3,6-tetrahydropyrazine
CID 18445364
1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine
CID 58843835
4-Methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine
CID 91348623
N,3-dimethyl-2-[2-(1-thiophen-2-ylethylideneamino)ethyl]cyclohexa-2,4-dien-1-amine
CID 135190286
2-(Thiophen-2-ylmethylideneamino)cyclohexan-1-amine
CID 140780652

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine (CID 126715747) is trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine is N[C@@H]1CCCC[C@H]1/N=C/c1cccs1.
What is the InChIKey of trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine?
The InChIKey is TVKIAAXXOUECMT-BOXMQNKESA-N. The full InChI is InChI=1S/C11H16N2S/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h3-4,7-8,10-11H,1-2,5-6,12H2/b13-8+/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine?
trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine has a molecular weight of 208.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine is sourced from PubChem (CID 126715747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).