6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine

C10H17N — CID 91409809

IUPAC6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine
SMILESCC=CC1=C(C)CNCCC1
InChIInChI=1S/C10H17N/c1-3-5-10-6-4-7-11-8-9(10)2/h3,5,11H,4,6-8H2,1-2H3
InChIKeyVFRFCFREVUDKPW-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.26
Rot. Bonds1

About 6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine

6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine (PubChem CID 91409809) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine.

Molecular Properties

Compound Name6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine
PubChem CID91409809
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine
SMILESCC=CC1=C(C)CNCCC1
InChIInChI=1S/C10H17N/c1-3-5-10-6-4-7-11-8-9(10)2/h3,5,11H,4,6-8H2,1-2H3
InChIKeyVFRFCFREVUDKPW-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine?
The IUPAC name of 6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine (CID 91409809) is 6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine.
What is the SMILES notation for 6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine?
The canonical SMILES for 6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine is CC=CC1=C(C)CNCCC1.
What is the InChIKey of 6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine?
The InChIKey is VFRFCFREVUDKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-10-6-4-7-11-8-9(10)2/h3,5,11H,4,6-8H2,1-2H3.
What are the key properties of 6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine?
6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine has a molecular weight of 151.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-prop-1-enyl-2,3,4,7-tetrahydro-1H-azepine is sourced from PubChem (CID 91409809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).