N,6-dimethyl-3-methylidene-1H-azepin-2-imine

C9H12N2 — CID 137092150

IUPACN,6-dimethyl-3-methylidene-1H-azepin-2-imine
SMILESC=C1C=CC(C)=CN/C1=N\C
InChIInChI=1S/C9H12N2/c1-7-4-5-8(2)9(10-3)11-6-7/h4-6H,2H2,1,3H3,(H,10,11)
InChIKeySKNWEJQVFACPMN-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.63
Rot. Bonds

About N,6-dimethyl-3-methylidene-1H-azepin-2-imine

N,6-dimethyl-3-methylidene-1H-azepin-2-imine (PubChem CID 137092150) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N,6-dimethyl-3-methylidene-1H-azepin-2-imine.

Molecular Properties

Compound NameN,6-dimethyl-3-methylidene-1H-azepin-2-imine
PubChem CID137092150
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN,6-dimethyl-3-methylidene-1H-azepin-2-imine
SMILESC=C1C=CC(C)=CN/C1=N\C
InChIInChI=1S/C9H12N2/c1-7-4-5-8(2)9(10-3)11-6-7/h4-6H,2H2,1,3H3,(H,10,11)
InChIKeySKNWEJQVFACPMN-UHFFFAOYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173891209
N-methyl-1,3-dihydroazepin-2-imine
CID 136209100
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
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CID 90126466
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
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(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
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(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
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2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
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N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
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2-[(3E)-4-chloropenta-1,3-dien-2-yl]-1,4-dihydropyrimidine
CID 123798047

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-3-methylidene-1H-azepin-2-imine?
The IUPAC name of N,6-dimethyl-3-methylidene-1H-azepin-2-imine (CID 137092150) is N,6-dimethyl-3-methylidene-1H-azepin-2-imine.
What is the SMILES notation for N,6-dimethyl-3-methylidene-1H-azepin-2-imine?
The canonical SMILES for N,6-dimethyl-3-methylidene-1H-azepin-2-imine is C=C1C=CC(C)=CN/C1=N\C.
What is the InChIKey of N,6-dimethyl-3-methylidene-1H-azepin-2-imine?
The InChIKey is SKNWEJQVFACPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-4-5-8(2)9(10-3)11-6-7/h4-6H,2H2,1,3H3,(H,10,11).
What are the key properties of N,6-dimethyl-3-methylidene-1H-azepin-2-imine?
N,6-dimethyl-3-methylidene-1H-azepin-2-imine has a molecular weight of 148.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-3-methylidene-1H-azepin-2-imine is sourced from PubChem (CID 137092150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).