1-(4,4-dimethylazepan-1-yl)propan-1-imine

C11H22N2 — CID 65286991

IUPAC1-(4,4-dimethylazepan-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCCC(C)(C)CC1
InChIInChI=1S/C11H22N2/c1-4-10(12)13-8-5-6-11(2,3)7-9-13/h12H,4-9H2,1-3H3/b12-10+
InChIKeyTVOWTNZUGFWYPV-ZRDIBKRKSA-N
MW182.31 g/mol
LogP2.89
Rot. Bonds1

About 1-(4,4-dimethylazepan-1-yl)propan-1-imine

1-(4,4-dimethylazepan-1-yl)propan-1-imine (PubChem CID 65286991) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(4,4-dimethylazepan-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(4,4-dimethylazepan-1-yl)propan-1-imine
PubChem CID65286991
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(4,4-dimethylazepan-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCCC(C)(C)CC1
InChIInChI=1S/C11H22N2/c1-4-10(12)13-8-5-6-11(2,3)7-9-13/h12H,4-9H2,1-3H3/b12-10+
InChIKeyTVOWTNZUGFWYPV-ZRDIBKRKSA-N
XLogP2.89
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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-(4,4-dimethylazepan-1-yl)propan-1-imine?
The IUPAC name of 1-(4,4-dimethylazepan-1-yl)propan-1-imine (CID 65286991) is 1-(4,4-dimethylazepan-1-yl)propan-1-imine.
What is the SMILES notation for 1-(4,4-dimethylazepan-1-yl)propan-1-imine?
The canonical SMILES for 1-(4,4-dimethylazepan-1-yl)propan-1-imine is [H]/N=C(\CC)N1CCCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylazepan-1-yl)propan-1-imine?
The InChIKey is TVOWTNZUGFWYPV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-10(12)13-8-5-6-11(2,3)7-9-13/h12H,4-9H2,1-3H3/b12-10+.
What are the key properties of 1-(4,4-dimethylazepan-1-yl)propan-1-imine?
1-(4,4-dimethylazepan-1-yl)propan-1-imine has a molecular weight of 182.31 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylazepan-1-yl)propan-1-imine is sourced from PubChem (CID 65286991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).