2-methyl-2-prop-2-enylazepane

C10H19N — CID 12765139

IUPAC2-methyl-2-prop-2-enylazepane
SMILESC=CCC1(C)CCCCCN1
InChIInChI=1S/C10H19N/c1-3-7-10(2)8-5-4-6-9-11-10/h3,11H,1,4-9H2,2H3
InChIKeyGSSNVCHMWJKRFE-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.48
Rot. Bonds2

About 2-methyl-2-prop-2-enylazepane

2-methyl-2-prop-2-enylazepane (PubChem CID 12765139) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enylazepane.

Molecular Properties

Compound Name2-methyl-2-prop-2-enylazepane
PubChem CID12765139
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-methyl-2-prop-2-enylazepane
SMILESC=CCC1(C)CCCCCN1
InChIInChI=1S/C10H19N/c1-3-7-10(2)8-5-4-6-9-11-10/h3,11H,1,4-9H2,2H3
InChIKeyGSSNVCHMWJKRFE-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enylazepane?
The IUPAC name of 2-methyl-2-prop-2-enylazepane (CID 12765139) is 2-methyl-2-prop-2-enylazepane.
What is the SMILES notation for 2-methyl-2-prop-2-enylazepane?
The canonical SMILES for 2-methyl-2-prop-2-enylazepane is C=CCC1(C)CCCCCN1.
What is the InChIKey of 2-methyl-2-prop-2-enylazepane?
The InChIKey is GSSNVCHMWJKRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-7-10(2)8-5-4-6-9-11-10/h3,11H,1,4-9H2,2H3.
What are the key properties of 2-methyl-2-prop-2-enylazepane?
2-methyl-2-prop-2-enylazepane has a molecular weight of 153.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enylazepane is sourced from PubChem (CID 12765139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).