1-methyl-3-prop-1-enylazepane

C10H19N — CID 123346781

IUPAC1-methyl-3-prop-1-enylazepane
SMILESCC=CC1CCCCN(C)C1
InChIInChI=1S/C10H19N/c1-3-6-10-7-4-5-8-11(2)9-10/h3,6,10H,4-5,7-9H2,1-2H3
InChIKeyRWNLVNNAGOBHFV-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds1

About 1-methyl-3-prop-1-enylazepane

1-methyl-3-prop-1-enylazepane (PubChem CID 123346781) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-methyl-3-prop-1-enylazepane.

Molecular Properties

Compound Name1-methyl-3-prop-1-enylazepane
PubChem CID123346781
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-methyl-3-prop-1-enylazepane
SMILESCC=CC1CCCCN(C)C1
InChIInChI=1S/C10H19N/c1-3-6-10-7-4-5-8-11(2)9-10/h3,6,10H,4-5,7-9H2,1-2H3
InChIKeyRWNLVNNAGOBHFV-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
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 1-methyl-3-prop-1-enylazepane?
The IUPAC name of 1-methyl-3-prop-1-enylazepane (CID 123346781) is 1-methyl-3-prop-1-enylazepane.
What is the SMILES notation for 1-methyl-3-prop-1-enylazepane?
The canonical SMILES for 1-methyl-3-prop-1-enylazepane is CC=CC1CCCCN(C)C1.
What is the InChIKey of 1-methyl-3-prop-1-enylazepane?
The InChIKey is RWNLVNNAGOBHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-6-10-7-4-5-8-11(2)9-10/h3,6,10H,4-5,7-9H2,1-2H3.
What are the key properties of 1-methyl-3-prop-1-enylazepane?
1-methyl-3-prop-1-enylazepane has a molecular weight of 153.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-1-enylazepane is sourced from PubChem (CID 123346781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).