2-ethyl-7-methylazepan-1-amine

C9H20N2 — CID 145095220

IUPAC2-ethyl-7-methylazepan-1-amine
SMILESCCC1CCCCC(C)N1N
InChIInChI=1S/C9H20N2/c1-3-9-7-5-4-6-8(2)11(9)10/h8-9H,3-7,10H2,1-2H3
InChIKeyFCCDOLWYDMZOLG-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.90
Rot. Bonds1

About 2-ethyl-7-methylazepan-1-amine

2-ethyl-7-methylazepan-1-amine (PubChem CID 145095220) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-ethyl-7-methylazepan-1-amine.

Molecular Properties

Compound Name2-ethyl-7-methylazepan-1-amine
PubChem CID145095220
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-ethyl-7-methylazepan-1-amine
SMILESCCC1CCCCC(C)N1N
InChIInChI=1S/C9H20N2/c1-3-9-7-5-4-6-8(2)11(9)10/h8-9H,3-7,10H2,1-2H3
InChIKeyFCCDOLWYDMZOLG-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methylazepan-1-amine?
The IUPAC name of 2-ethyl-7-methylazepan-1-amine (CID 145095220) is 2-ethyl-7-methylazepan-1-amine.
What is the SMILES notation for 2-ethyl-7-methylazepan-1-amine?
The canonical SMILES for 2-ethyl-7-methylazepan-1-amine is CCC1CCCCC(C)N1N.
What is the InChIKey of 2-ethyl-7-methylazepan-1-amine?
The InChIKey is FCCDOLWYDMZOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-9-7-5-4-6-8(2)11(9)10/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-ethyl-7-methylazepan-1-amine?
2-ethyl-7-methylazepan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methylazepan-1-amine is sourced from PubChem (CID 145095220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).