6-methyl-6-propan-2-yloxepan-2-imine

C10H19NO — CID 90976816

IUPAC6-methyl-6-propan-2-yloxepan-2-imine
SMILES[H]/N=C1\CCCC(C)(C(C)C)CO1
InChIInChI=1S/C10H19NO/c1-8(2)10(3)6-4-5-9(11)12-7-10/h8,11H,4-7H2,1-3H3/b11-9+
InChIKeyHMNQUFDCPBNZGL-PKNBQFBNSA-N
MW169.27 g/mol
LogP2.83
Rot. Bonds1

About 6-methyl-6-propan-2-yloxepan-2-imine

6-methyl-6-propan-2-yloxepan-2-imine (PubChem CID 90976816) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-methyl-6-propan-2-yloxepan-2-imine.

Molecular Properties

Compound Name6-methyl-6-propan-2-yloxepan-2-imine
PubChem CID90976816
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-methyl-6-propan-2-yloxepan-2-imine
SMILES[H]/N=C1\CCCC(C)(C(C)C)CO1
InChIInChI=1S/C10H19NO/c1-8(2)10(3)6-4-5-9(11)12-7-10/h8,11H,4-7H2,1-3H3/b11-9+
InChIKeyHMNQUFDCPBNZGL-PKNBQFBNSA-N
XLogP2.83
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.83
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 6-methyl-6-propan-2-yloxepan-2-imine?
The IUPAC name of 6-methyl-6-propan-2-yloxepan-2-imine (CID 90976816) is 6-methyl-6-propan-2-yloxepan-2-imine.
What is the SMILES notation for 6-methyl-6-propan-2-yloxepan-2-imine?
The canonical SMILES for 6-methyl-6-propan-2-yloxepan-2-imine is [H]/N=C1\CCCC(C)(C(C)C)CO1.
What is the InChIKey of 6-methyl-6-propan-2-yloxepan-2-imine?
The InChIKey is HMNQUFDCPBNZGL-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(3)6-4-5-9(11)12-7-10/h8,11H,4-7H2,1-3H3/b11-9+.
What are the key properties of 6-methyl-6-propan-2-yloxepan-2-imine?
6-methyl-6-propan-2-yloxepan-2-imine has a molecular weight of 169.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-propan-2-yloxepan-2-imine is sourced from PubChem (CID 90976816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).