2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine

C11H16N2S — CID 140780652

IUPAC2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine
SMILESNC1CCCCC1/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+
InChIKeyTVKIAAXXOUECMT-MDWZMJQESA-N
MW208.33 g/mol
LogP2.44
Rot. Bonds2

About 2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine

2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine (PubChem CID 140780652) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine
PubChem CID140780652
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine
SMILESNC1CCCCC1/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+
InChIKeyTVKIAAXXOUECMT-MDWZMJQESA-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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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine?
The IUPAC name of 2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine (CID 140780652) is 2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine.
What is the SMILES notation for 2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine?
The canonical SMILES for 2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine is NC1CCCCC1/N=C/c1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine?
The InChIKey is TVKIAAXXOUECMT-MDWZMJQESA-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+.
What are the key properties of 2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine?
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 2-(thiophen-2-ylmethylideneamino)cyclohexan-1-amine is sourced from PubChem (CID 140780652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).