1-(azepan-1-yl)-2,2-dimethylpropan-1-imine

C11H22N2 — CID 63178893

IUPAC1-(azepan-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCCCCC1)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-11(2,3)10(12)13-8-6-4-5-7-9-13/h12H,4-9H2,1-3H3/b12-10-
InChIKeyMJYGCLXNSSVXMK-BENRWUELSA-N
MW182.31 g/mol
LogP2.89
Rot. Bonds

About 1-(azepan-1-yl)-2,2-dimethylpropan-1-imine

1-(azepan-1-yl)-2,2-dimethylpropan-1-imine (PubChem CID 63178893) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-(azepan-1-yl)-2,2-dimethylpropan-1-imine
PubChem CID63178893
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(azepan-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCCCCC1)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-11(2,3)10(12)13-8-6-4-5-7-9-13/h12H,4-9H2,1-3H3/b12-10-
InChIKeyMJYGCLXNSSVXMK-BENRWUELSA-N
XLogP2.89
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-(azepan-1-yl)-2,2-dimethylpropan-1-imine (CID 63178893) is 1-(azepan-1-yl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-(azepan-1-yl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-(azepan-1-yl)-2,2-dimethylpropan-1-imine is [H]/N=C(\N1CCCCCC1)C(C)(C)C.
What is the InChIKey of 1-(azepan-1-yl)-2,2-dimethylpropan-1-imine?
The InChIKey is MJYGCLXNSSVXMK-BENRWUELSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)10(12)13-8-6-4-5-7-9-13/h12H,4-9H2,1-3H3/b12-10-.
What are the key properties of 1-(azepan-1-yl)-2,2-dimethylpropan-1-imine?
1-(azepan-1-yl)-2,2-dimethylpropan-1-imine has a molecular weight of 182.31 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 63178893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).