N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine

C9H16N2 — CID 123680092

IUPACN,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine
SMILESC/N=C1\C=CC(C)CCN1C
InChIInChI=1S/C9H16N2/c1-8-4-5-9(10-2)11(3)7-6-8/h4-5,8H,6-7H2,1-3H3/b10-9+
InChIKeyGYTBYZVLXKDJHT-MDZDMXLPSA-N
MW152.24 g/mol
LogP1.54
Rot. Bonds

About N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine

N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine (PubChem CID 123680092) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine.

Molecular Properties

Compound NameN,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine
PubChem CID123680092
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine
SMILESC/N=C1\C=CC(C)CCN1C
InChIInChI=1S/C9H16N2/c1-8-4-5-9(10-2)11(3)7-6-8/h4-5,8H,6-7H2,1-3H3/b10-9+
InChIKeyGYTBYZVLXKDJHT-MDZDMXLPSA-N
XLogP1.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine?
The IUPAC name of N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine (CID 123680092) is N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine.
What is the SMILES notation for N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine?
The canonical SMILES for N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine is C/N=C1\C=CC(C)CCN1C.
What is the InChIKey of N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine?
The InChIKey is GYTBYZVLXKDJHT-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-4-5-9(10-2)11(3)7-6-8/h4-5,8H,6-7H2,1-3H3/b10-9+.
What are the key properties of N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine?
N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine has a molecular weight of 152.24 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,4-trimethyl-3,4-dihydro-2H-azepin-7-imine is sourced from PubChem (CID 123680092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).