4,7-diethyl-5H-1,3-diazepin-2-amine

C9H15N3 — CID 118884278

IUPAC4,7-diethyl-5H-1,3-diazepin-2-amine
SMILESCCC1=CCC(CC)=NC(N)=N1
InChIInChI=1S/C9H15N3/c1-3-7-5-6-8(4-2)12-9(10)11-7/h5H,3-4,6H2,1-2H3,(H2,10,11)
InChIKeyPHXJRTQNKLKSQT-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.85
Rot. Bonds2

About 4,7-diethyl-5H-1,3-diazepin-2-amine

4,7-diethyl-5H-1,3-diazepin-2-amine (PubChem CID 118884278) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4,7-diethyl-5H-1,3-diazepin-2-amine.

Molecular Properties

Compound Name4,7-diethyl-5H-1,3-diazepin-2-amine
PubChem CID118884278
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4,7-diethyl-5H-1,3-diazepin-2-amine
SMILESCCC1=CCC(CC)=NC(N)=N1
InChIInChI=1S/C9H15N3/c1-3-7-5-6-8(4-2)12-9(10)11-7/h5H,3-4,6H2,1-2H3,(H2,10,11)
InChIKeyPHXJRTQNKLKSQT-UHFFFAOYSA-N
XLogP1.85
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-diethyl-5H-1,3-diazepin-2-amine?
The IUPAC name of 4,7-diethyl-5H-1,3-diazepin-2-amine (CID 118884278) is 4,7-diethyl-5H-1,3-diazepin-2-amine.
What is the SMILES notation for 4,7-diethyl-5H-1,3-diazepin-2-amine?
The canonical SMILES for 4,7-diethyl-5H-1,3-diazepin-2-amine is CCC1=CCC(CC)=NC(N)=N1.
What is the InChIKey of 4,7-diethyl-5H-1,3-diazepin-2-amine?
The InChIKey is PHXJRTQNKLKSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-7-5-6-8(4-2)12-9(10)11-7/h5H,3-4,6H2,1-2H3,(H2,10,11).
What are the key properties of 4,7-diethyl-5H-1,3-diazepin-2-amine?
4,7-diethyl-5H-1,3-diazepin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethyl-5H-1,3-diazepin-2-amine is sourced from PubChem (CID 118884278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).