7-N,4-diethyl-3H-azepine-5,7-diamine

C10H17N3 — CID 118946189

IUPAC7-N,4-diethyl-3H-azepine-5,7-diamine
SMILESCCNC1=CC(N)=C(CC)CC=N1
InChIInChI=1S/C10H17N3/c1-3-8-5-6-13-10(12-4-2)7-9(8)11/h6-7,12H,3-5,11H2,1-2H3
InChIKeyVYGBDJZMMXDLKB-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.53
Rot. Bonds3

About 7-N,4-diethyl-3H-azepine-5,7-diamine

7-N,4-diethyl-3H-azepine-5,7-diamine (PubChem CID 118946189) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 7-N,4-diethyl-3H-azepine-5,7-diamine.

Molecular Properties

Compound Name7-N,4-diethyl-3H-azepine-5,7-diamine
PubChem CID118946189
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name7-N,4-diethyl-3H-azepine-5,7-diamine
SMILESCCNC1=CC(N)=C(CC)CC=N1
InChIInChI=1S/C10H17N3/c1-3-8-5-6-13-10(12-4-2)7-9(8)11/h6-7,12H,3-5,11H2,1-2H3
InChIKeyVYGBDJZMMXDLKB-UHFFFAOYSA-N
XLogP1.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-N,4-diethyl-3H-azepine-5,7-diamine?
The IUPAC name of 7-N,4-diethyl-3H-azepine-5,7-diamine (CID 118946189) is 7-N,4-diethyl-3H-azepine-5,7-diamine.
What is the SMILES notation for 7-N,4-diethyl-3H-azepine-5,7-diamine?
The canonical SMILES for 7-N,4-diethyl-3H-azepine-5,7-diamine is CCNC1=CC(N)=C(CC)CC=N1.
What is the InChIKey of 7-N,4-diethyl-3H-azepine-5,7-diamine?
The InChIKey is VYGBDJZMMXDLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-8-5-6-13-10(12-4-2)7-9(8)11/h6-7,12H,3-5,11H2,1-2H3.
What are the key properties of 7-N,4-diethyl-3H-azepine-5,7-diamine?
7-N,4-diethyl-3H-azepine-5,7-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,4-diethyl-3H-azepine-5,7-diamine is sourced from PubChem (CID 118946189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).