ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium

C11H24N3O+ — CID 142817930

IUPACethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium
SMILESCC.CC(C)[NH2+]/C=C1/CCNC(=O)N1C
InChIInChI=1S/C9H17N3O.C2H6/c1-7(2)11-6-8-4-5-10-9(13)12(8)3;1-2/h6-7,11H,4-5H2,1-3H3,(H,10,13);1-2H3/p+1/b8-6-;
InChIKeyPJFDQVSMQHGFFY-PHZXCRFESA-O
MW214.33 g/mol
LogP0.87
Rot. Bonds2

About ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium

ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium (PubChem CID 142817930) has the molecular formula C11H24N3O+ and a molecular weight of 214.33 g/mol. Its IUPAC name is ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium.

Molecular Properties

Compound Nameethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium
PubChem CID142817930
Molecular FormulaC11H24N3O+
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Nameethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium
SMILESCC.CC(C)[NH2+]/C=C1/CCNC(=O)N1C
InChIInChI=1S/C9H17N3O.C2H6/c1-7(2)11-6-8-4-5-10-9(13)12(8)3;1-2/h6-7,11H,4-5H2,1-3H3,(H,10,13);1-2H3/p+1/b8-6-;
InChIKeyPJFDQVSMQHGFFY-PHZXCRFESA-O
XLogP0.87
TPSA48.95 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium?
The IUPAC name of ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium (CID 142817930) is ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium.
What is the SMILES notation for ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium?
The canonical SMILES for ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium is CC.CC(C)[NH2+]/C=C1/CCNC(=O)N1C.
What is the InChIKey of ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium?
The InChIKey is PJFDQVSMQHGFFY-PHZXCRFESA-O. The full InChI is InChI=1S/C9H17N3O.C2H6/c1-7(2)11-6-8-4-5-10-9(13)12(8)3;1-2/h6-7,11H,4-5H2,1-3H3,(H,10,13);1-2H3/p+1/b8-6-;.
What are the key properties of ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium?
ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium has a molecular weight of 214.33 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(Z)-(3-methyl-2-oxo-1,3-diazinan-4-ylidene)methyl]-propan-2-ylazanium is sourced from PubChem (CID 142817930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).