2-(1H-azepin-2-yl)cyclohexan-1-imine

C12H16N2 — CID 67761454

IUPAC2-(1H-azepin-2-yl)cyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1C1=CC=CC=CN1
InChIInChI=1S/C12H16N2/c13-11-7-4-3-6-10(11)12-8-2-1-5-9-14-12/h1-2,5,8-10,13-14H,3-4,6-7H2/b13-11+
InChIKeyFPEHYOJKMPLVFT-ACCUITESSA-N
MW188.27 g/mol
LogP2.75
Rot. Bonds1

About 2-(1H-azepin-2-yl)cyclohexan-1-imine

2-(1H-azepin-2-yl)cyclohexan-1-imine (PubChem CID 67761454) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(1H-azepin-2-yl)cyclohexan-1-imine.

Molecular Properties

Compound Name2-(1H-azepin-2-yl)cyclohexan-1-imine
PubChem CID67761454
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(1H-azepin-2-yl)cyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1C1=CC=CC=CN1
InChIInChI=1S/C12H16N2/c13-11-7-4-3-6-10(11)12-8-2-1-5-9-14-12/h1-2,5,8-10,13-14H,3-4,6-7H2/b13-11+
InChIKeyFPEHYOJKMPLVFT-ACCUITESSA-N
XLogP2.75
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-azepin-2-yl)cyclohexan-1-imine?
The IUPAC name of 2-(1H-azepin-2-yl)cyclohexan-1-imine (CID 67761454) is 2-(1H-azepin-2-yl)cyclohexan-1-imine.
What is the SMILES notation for 2-(1H-azepin-2-yl)cyclohexan-1-imine?
The canonical SMILES for 2-(1H-azepin-2-yl)cyclohexan-1-imine is [H]/N=C1\CCCCC1C1=CC=CC=CN1.
What is the InChIKey of 2-(1H-azepin-2-yl)cyclohexan-1-imine?
The InChIKey is FPEHYOJKMPLVFT-ACCUITESSA-N. The full InChI is InChI=1S/C12H16N2/c13-11-7-4-3-6-10(11)12-8-2-1-5-9-14-12/h1-2,5,8-10,13-14H,3-4,6-7H2/b13-11+.
What are the key properties of 2-(1H-azepin-2-yl)cyclohexan-1-imine?
2-(1H-azepin-2-yl)cyclohexan-1-imine has a molecular weight of 188.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-azepin-2-yl)cyclohexan-1-imine is sourced from PubChem (CID 67761454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).