ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine

C12H20N4 — CID 177143998

IUPACethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine
SMILESCC.Cc1nc2n(c1N)C=CC(C)(C)C=N2
InChIInChI=1S/C10H14N4.C2H6/c1-7-8(11)14-5-4-10(2,3)6-12-9(14)13-7;1-2/h4-6H,11H2,1-3H3;1-2H3
InChIKeyWLOUADQBBQCJTC-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.01
Rot. Bonds

About ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine

ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine (PubChem CID 177143998) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine.

Molecular Properties

Compound Nameethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine
PubChem CID177143998
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Nameethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine
SMILESCC.Cc1nc2n(c1N)C=CC(C)(C)C=N2
InChIInChI=1S/C10H14N4.C2H6/c1-7-8(11)14-5-4-10(2,3)6-12-9(14)13-7;1-2/h4-6H,11H2,1-3H3;1-2H3
InChIKeyWLOUADQBBQCJTC-UHFFFAOYSA-N
XLogP3.01
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine?
The IUPAC name of ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine (CID 177143998) is ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine.
What is the SMILES notation for ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine?
The canonical SMILES for ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine is CC.Cc1nc2n(c1N)C=CC(C)(C)C=N2.
What is the InChIKey of ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine?
The InChIKey is WLOUADQBBQCJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4.C2H6/c1-7-8(11)14-5-4-10(2,3)6-12-9(14)13-7;1-2/h4-6H,11H2,1-3H3;1-2H3.
What are the key properties of ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine?
ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine is sourced from PubChem (CID 177143998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).