5-methyl-2-methylidene-6-propan-2-ylazepane

C11H21N — CID 163644778

IUPAC5-methyl-2-methylidene-6-propan-2-ylazepane
SMILESC=C1CCC(C)C(C(C)C)CN1
InChIInChI=1S/C11H21N/c1-8(2)11-7-12-10(4)6-5-9(11)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyIHHZVWAGNNUWPL-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.79
Rot. Bonds1

About 5-methyl-2-methylidene-6-propan-2-ylazepane

5-methyl-2-methylidene-6-propan-2-ylazepane (PubChem CID 163644778) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-methyl-2-methylidene-6-propan-2-ylazepane.

Molecular Properties

Compound Name5-methyl-2-methylidene-6-propan-2-ylazepane
PubChem CID163644778
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-methyl-2-methylidene-6-propan-2-ylazepane
SMILESC=C1CCC(C)C(C(C)C)CN1
InChIInChI=1S/C11H21N/c1-8(2)11-7-12-10(4)6-5-9(11)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyIHHZVWAGNNUWPL-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 53844445
CID 53930939
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CID 53930940
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CID 53939942
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CID 53939943
CID 53939943
CID 53955141
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CID 53994160
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CID 54020223
CID 54020223

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-6-propan-2-ylazepane?
The IUPAC name of 5-methyl-2-methylidene-6-propan-2-ylazepane (CID 163644778) is 5-methyl-2-methylidene-6-propan-2-ylazepane.
What is the SMILES notation for 5-methyl-2-methylidene-6-propan-2-ylazepane?
The canonical SMILES for 5-methyl-2-methylidene-6-propan-2-ylazepane is C=C1CCC(C)C(C(C)C)CN1.
What is the InChIKey of 5-methyl-2-methylidene-6-propan-2-ylazepane?
The InChIKey is IHHZVWAGNNUWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)11-7-12-10(4)6-5-9(11)3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 5-methyl-2-methylidene-6-propan-2-ylazepane?
5-methyl-2-methylidene-6-propan-2-ylazepane has a molecular weight of 167.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-6-propan-2-ylazepane is sourced from PubChem (CID 163644778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).