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2,5,5-trimethyl-1H-1,4-diazepin-2-amine

C8H15N3 — CID 142494654

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,5,5-trimethyl-1H-1,4-diazepin-2-amine
SMILESCC1(C)C=CNC(C)(N)C=N1
InChIInChI=1S/C8H15N3/c1-7(2)4-5-10-8(3,9)6-11-7/h4-6,10H,9H2,1-3H3
InChIKeyDXIHEWCDIDJZME-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.63
Rot. Bonds

About 2,5,5-trimethyl-1H-1,4-diazepin-2-amine

2,5,5-trimethyl-1H-1,4-diazepin-2-amine (PubChem CID 142494654) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2,5,5-trimethyl-1H-1,4-diazepin-2-amine.

Molecular Properties

Compound Name2,5,5-trimethyl-1H-1,4-diazepin-2-amine
PubChem CID142494654
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2,5,5-trimethyl-1H-1,4-diazepin-2-amine
SMILESCC1(C)C=CNC(C)(N)C=N1
InChIInChI=1S/C8H15N3/c1-7(2)4-5-10-8(3,9)6-11-7/h4-6,10H,9H2,1-3H3
InChIKeyDXIHEWCDIDJZME-UHFFFAOYSA-N
XLogP0.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1H-1,4-diazepin-2-amine?
The IUPAC name of 2,5,5-trimethyl-1H-1,4-diazepin-2-amine (CID 142494654) is 2,5,5-trimethyl-1H-1,4-diazepin-2-amine.
What is the SMILES notation for 2,5,5-trimethyl-1H-1,4-diazepin-2-amine?
The canonical SMILES for 2,5,5-trimethyl-1H-1,4-diazepin-2-amine is CC1(C)C=CNC(C)(N)C=N1.
What is the InChIKey of 2,5,5-trimethyl-1H-1,4-diazepin-2-amine?
The InChIKey is DXIHEWCDIDJZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)4-5-10-8(3,9)6-11-7/h4-6,10H,9H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-1H-1,4-diazepin-2-amine?
2,5,5-trimethyl-1H-1,4-diazepin-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1H-1,4-diazepin-2-amine is sourced from PubChem (CID 142494654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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