N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine

C10H16N2 — CID 123292891

IUPACN-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine
SMILESC/N=C(\C)C1=C(C)CCCC=N1
InChIInChI=1S/C10H16N2/c1-8-6-4-5-7-12-10(8)9(2)11-3/h7H,4-6H2,1-3H3/b11-9+
InChIKeyHWSXXFOOHMNZMS-PKNBQFBNSA-N
MW164.25 g/mol
LogP2.61
Rot. Bonds1

About N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine

N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine (PubChem CID 123292891) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine
PubChem CID123292891
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine
SMILESC/N=C(\C)C1=C(C)CCCC=N1
InChIInChI=1S/C10H16N2/c1-8-6-4-5-7-12-10(8)9(2)11-3/h7H,4-6H2,1-3H3/b11-9+
InChIKeyHWSXXFOOHMNZMS-PKNBQFBNSA-N
XLogP2.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
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 N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine?
The IUPAC name of N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine (CID 123292891) is N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine.
What is the SMILES notation for N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine?
The canonical SMILES for N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine is C/N=C(\C)C1=C(C)CCCC=N1.
What is the InChIKey of N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine?
The InChIKey is HWSXXFOOHMNZMS-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-6-4-5-7-12-10(8)9(2)11-3/h7H,4-6H2,1-3H3/b11-9+.
What are the key properties of N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine?
N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine has a molecular weight of 164.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine is sourced from PubChem (CID 123292891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).