2-ethyl-1-methylazepane

C9H19N — CID 59769512

IUPAC2-ethyl-1-methylazepane
SMILESCCC1CCCCCN1C
InChIInChI=1S/C9H19N/c1-3-9-7-5-4-6-8-10(9)2/h9H,3-8H2,1-2H3
InChIKeyJGCCDUKEEAKBOG-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.27
Rot. Bonds1

About 2-ethyl-1-methylazepane

2-ethyl-1-methylazepane (PubChem CID 59769512) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-ethyl-1-methylazepane.

Molecular Properties

Compound Name2-ethyl-1-methylazepane
PubChem CID59769512
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-ethyl-1-methylazepane
SMILESCCC1CCCCCN1C
InChIInChI=1S/C9H19N/c1-3-9-7-5-4-6-8-10(9)2/h9H,3-8H2,1-2H3
InChIKeyJGCCDUKEEAKBOG-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylazepane?
The IUPAC name of 2-ethyl-1-methylazepane (CID 59769512) is 2-ethyl-1-methylazepane.
What is the SMILES notation for 2-ethyl-1-methylazepane?
The canonical SMILES for 2-ethyl-1-methylazepane is CCC1CCCCCN1C.
What is the InChIKey of 2-ethyl-1-methylazepane?
The InChIKey is JGCCDUKEEAKBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-9-7-5-4-6-8-10(9)2/h9H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-1-methylazepane?
2-ethyl-1-methylazepane has a molecular weight of 141.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylazepane is sourced from PubChem (CID 59769512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).