methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine

C8H18N2 — CID 163235157

IUPACmethanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine
SMILESCC1C=CCCCN1.CN
InChIInChI=1S/C7H13N.CH5N/c1-7-5-3-2-4-6-8-7;1-2/h3,5,7-8H,2,4,6H2,1H3;2H2,1H3
InChIKeyKQTADPMKOKOKOB-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.89
Rot. Bonds

About methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine

methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine (PubChem CID 163235157) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine.

Molecular Properties

Compound Namemethanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine
PubChem CID163235157
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Namemethanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine
SMILESCC1C=CCCCN1.CN
InChIInChI=1S/C7H13N.CH5N/c1-7-5-3-2-4-6-8-7;1-2/h3,5,7-8H,2,4,6H2,1H3;2H2,1H3
InChIKeyKQTADPMKOKOKOB-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine?
The IUPAC name of methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine (CID 163235157) is methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine.
What is the SMILES notation for methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine?
The canonical SMILES for methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine is CC1C=CCCCN1.CN.
What is the InChIKey of methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine?
The InChIKey is KQTADPMKOKOKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.CH5N/c1-7-5-3-2-4-6-8-7;1-2/h3,5,7-8H,2,4,6H2,1H3;2H2,1H3.
What are the key properties of methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine?
methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine has a molecular weight of 142.25 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;7-methyl-2,3,4,7-tetrahydro-1H-azepine is sourced from PubChem (CID 163235157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).