1-methylazepan-3-imine

C7H14N2 — CID 57006390

IUPAC1-methylazepan-3-imine
SMILES[H]/N=C1\CCCCN(C)C1
InChIInChI=1S/C7H14N2/c1-9-5-3-2-4-7(8)6-9/h8H,2-6H2,1H3/b8-7+
InChIKeyASDNRGHJKVIDGR-BQYQJAHWSA-N
MW126.20 g/mol
LogP1.12
Rot. Bonds

About 1-methylazepan-3-imine

1-methylazepan-3-imine (PubChem CID 57006390) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-methylazepan-3-imine.

Molecular Properties

Compound Name1-methylazepan-3-imine
PubChem CID57006390
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-methylazepan-3-imine
SMILES[H]/N=C1\CCCCN(C)C1
InChIInChI=1S/C7H14N2/c1-9-5-3-2-4-7(8)6-9/h8H,2-6H2,1H3/b8-7+
InChIKeyASDNRGHJKVIDGR-BQYQJAHWSA-N
XLogP1.12
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
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 1-methylazepan-3-imine?
The IUPAC name of 1-methylazepan-3-imine (CID 57006390) is 1-methylazepan-3-imine.
What is the SMILES notation for 1-methylazepan-3-imine?
The canonical SMILES for 1-methylazepan-3-imine is [H]/N=C1\CCCCN(C)C1.
What is the InChIKey of 1-methylazepan-3-imine?
The InChIKey is ASDNRGHJKVIDGR-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-5-3-2-4-7(8)6-9/h8H,2-6H2,1H3/b8-7+.
What are the key properties of 1-methylazepan-3-imine?
1-methylazepan-3-imine has a molecular weight of 126.20 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepan-3-imine is sourced from PubChem (CID 57006390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).