1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine

C8H14N2 — CID 123316650

IUPAC1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine
SMILES[H]/N=C1\C=CCC(C)N(C)C1
InChIInChI=1S/C8H14N2/c1-7-4-3-5-8(9)6-10(7)2/h3,5,7,9H,4,6H2,1-2H3/b9-8+
InChIKeyCIEQOIKXRGJOSB-CMDGGOBGSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds

About 1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine

1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine (PubChem CID 123316650) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine.

Molecular Properties

Compound Name1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine
PubChem CID123316650
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine
SMILES[H]/N=C1\C=CCC(C)N(C)C1
InChIInChI=1S/C8H14N2/c1-7-4-3-5-8(9)6-10(7)2/h3,5,7,9H,4,6H2,1-2H3/b9-8+
InChIKeyCIEQOIKXRGJOSB-CMDGGOBGSA-N
XLogP1.29
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-imino-N,N-dimethylcyclohexa-2,5-dien-1-amine
CID 59831278
1-Methyl-2,6-dihydropyridin-3-imine
CID 123316768
4-imino-N,N-dimethylcyclohepta-2,5-dien-1-amine
CID 123439029
2-imino-N,N-dimethylpent-3-en-1-amine
CID 123865844
4-(4-Methylpiperazin-1-yl)cyclohepta-2,6-dien-1-imine
CID 123966950
(E)-N-ethyl-4-imino-N-methylpent-2-en-1-amine
CID 139516172
(Z)-2-ethylimino-N-methyl-N-propan-2-ylpent-3-en-1-amine
CID 177054126
(4Z)-N-ethyl-3-imino-N-propylhepta-4,6-dien-1-amine
CID 141921813

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine?
The IUPAC name of 1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine (CID 123316650) is 1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine.
What is the SMILES notation for 1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine?
The canonical SMILES for 1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine is [H]/N=C1\C=CCC(C)N(C)C1.
What is the InChIKey of 1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine?
The InChIKey is CIEQOIKXRGJOSB-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-4-3-5-8(9)6-10(7)2/h3,5,7,9H,4,6H2,1-2H3/b9-8+.
What are the key properties of 1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine?
1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine has a molecular weight of 138.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,7-dihydro-2H-azepin-6-imine is sourced from PubChem (CID 123316650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).