ethane;1-methyl-1,3-diazepin-4-amine

C8H15N3 — CID 142426280

IUPACethane;1-methyl-1,3-diazepin-4-amine
SMILESCC.CN1C=CC=C(N)N=C1
InChIInChI=1S/C6H9N3.C2H6/c1-9-4-2-3-6(7)8-5-9;1-2/h2-5H,7H2,1H3;1-2H3
InChIKeyVGCOFJFWUJRJNX-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.30
Rot. Bonds

About ethane;1-methyl-1,3-diazepin-4-amine

ethane;1-methyl-1,3-diazepin-4-amine (PubChem CID 142426280) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is ethane;1-methyl-1,3-diazepin-4-amine.

Molecular Properties

Compound Nameethane;1-methyl-1,3-diazepin-4-amine
PubChem CID142426280
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Nameethane;1-methyl-1,3-diazepin-4-amine
SMILESCC.CN1C=CC=C(N)N=C1
InChIInChI=1S/C6H9N3.C2H6/c1-9-4-2-3-6(7)8-5-9;1-2/h2-5H,7H2,1H3;1-2H3
InChIKeyVGCOFJFWUJRJNX-UHFFFAOYSA-N
XLogP1.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-1,3-diazepin-4-amine?
The IUPAC name of ethane;1-methyl-1,3-diazepin-4-amine (CID 142426280) is ethane;1-methyl-1,3-diazepin-4-amine.
What is the SMILES notation for ethane;1-methyl-1,3-diazepin-4-amine?
The canonical SMILES for ethane;1-methyl-1,3-diazepin-4-amine is CC.CN1C=CC=C(N)N=C1.
What is the InChIKey of ethane;1-methyl-1,3-diazepin-4-amine?
The InChIKey is VGCOFJFWUJRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C2H6/c1-9-4-2-3-6(7)8-5-9;1-2/h2-5H,7H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-1,3-diazepin-4-amine?
ethane;1-methyl-1,3-diazepin-4-amine has a molecular weight of 153.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-1,3-diazepin-4-amine is sourced from PubChem (CID 142426280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).