3-methyl-3-[(E)-prop-1-enyl]azepane

C10H19N — CID 142368988

IUPAC3-methyl-3-[(E)-prop-1-enyl]azepane
SMILESC/C=C/C1(C)CCCCNC1
InChIInChI=1S/C10H19N/c1-3-6-10(2)7-4-5-8-11-9-10/h3,6,11H,4-5,7-9H2,1-2H3/b6-3+
InChIKeyVQPLJRVUTDJMMS-ZZXKWVIFSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds1

About 3-methyl-3-[(E)-prop-1-enyl]azepane

3-methyl-3-[(E)-prop-1-enyl]azepane (PubChem CID 142368988) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-methyl-3-[(E)-prop-1-enyl]azepane.

Molecular Properties

Compound Name3-methyl-3-[(E)-prop-1-enyl]azepane
PubChem CID142368988
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-methyl-3-[(E)-prop-1-enyl]azepane
SMILESC/C=C/C1(C)CCCCNC1
InChIInChI=1S/C10H19N/c1-3-6-10(2)7-4-5-8-11-9-10/h3,6,11H,4-5,7-9H2,1-2H3/b6-3+
InChIKeyVQPLJRVUTDJMMS-ZZXKWVIFSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
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 3-methyl-3-[(E)-prop-1-enyl]azepane?
The IUPAC name of 3-methyl-3-[(E)-prop-1-enyl]azepane (CID 142368988) is 3-methyl-3-[(E)-prop-1-enyl]azepane.
What is the SMILES notation for 3-methyl-3-[(E)-prop-1-enyl]azepane?
The canonical SMILES for 3-methyl-3-[(E)-prop-1-enyl]azepane is C/C=C/C1(C)CCCCNC1.
What is the InChIKey of 3-methyl-3-[(E)-prop-1-enyl]azepane?
The InChIKey is VQPLJRVUTDJMMS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H19N/c1-3-6-10(2)7-4-5-8-11-9-10/h3,6,11H,4-5,7-9H2,1-2H3/b6-3+.
What are the key properties of 3-methyl-3-[(E)-prop-1-enyl]azepane?
3-methyl-3-[(E)-prop-1-enyl]azepane has a molecular weight of 153.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(E)-prop-1-enyl]azepane is sourced from PubChem (CID 142368988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).