4-methyl-5-methylidene-1,3-diazinan-2-amine

C6H13N3 — CID 123831195

IUPAC4-methyl-5-methylidene-1,3-diazinan-2-amine
SMILESC=C1CNC(N)NC1C
InChIInChI=1S/C6H13N3/c1-4-3-8-6(7)9-5(4)2/h5-6,8-9H,1,3,7H2,2H3
InChIKeyYOOXSFBOSXRHLJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.63
Rot. Bonds

About 4-methyl-5-methylidene-1,3-diazinan-2-amine

4-methyl-5-methylidene-1,3-diazinan-2-amine (PubChem CID 123831195) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methyl-5-methylidene-1,3-diazinan-2-amine.

Molecular Properties

Compound Name4-methyl-5-methylidene-1,3-diazinan-2-amine
PubChem CID123831195
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name4-methyl-5-methylidene-1,3-diazinan-2-amine
SMILESC=C1CNC(N)NC1C
InChIInChI=1S/C6H13N3/c1-4-3-8-6(7)9-5(4)2/h5-6,8-9H,1,3,7H2,2H3
InChIKeyYOOXSFBOSXRHLJ-UHFFFAOYSA-N
XLogP-0.63
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2,6-dimethylidene-1,3-diazinane
CID 59322361
6-Methyl-5-methylidenepiperidin-2-amine
CID 90778224
N-methyl-5-methylidenepiperidin-2-amine
CID 90816630
N,N,4-trimethyl-5-methylidene-1,3-diazinan-2-amine
CID 91041133
4,6-Dimethyl-5-methylidene-1,3-diazinane
CID 91138135
5-methylidene-N-propan-2-ylpiperidin-2-amine
CID 91222372
N-methyl-3-methylidenepiperidin-2-amine
CID 91511639
4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine
CID 134389572

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-1,3-diazinan-2-amine?
The IUPAC name of 4-methyl-5-methylidene-1,3-diazinan-2-amine (CID 123831195) is 4-methyl-5-methylidene-1,3-diazinan-2-amine.
What is the SMILES notation for 4-methyl-5-methylidene-1,3-diazinan-2-amine?
The canonical SMILES for 4-methyl-5-methylidene-1,3-diazinan-2-amine is C=C1CNC(N)NC1C.
What is the InChIKey of 4-methyl-5-methylidene-1,3-diazinan-2-amine?
The InChIKey is YOOXSFBOSXRHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-3-8-6(7)9-5(4)2/h5-6,8-9H,1,3,7H2,2H3.
What are the key properties of 4-methyl-5-methylidene-1,3-diazinan-2-amine?
4-methyl-5-methylidene-1,3-diazinan-2-amine has a molecular weight of 127.19 g/mol, XLogP of -0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-1,3-diazinan-2-amine is sourced from PubChem (CID 123831195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).