5-methylidene-4-propan-2-yl-1,3-diazinane

C8H16N2 — CID 123147188

IUPAC5-methylidene-4-propan-2-yl-1,3-diazinane
SMILESC=C1CNCNC1C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8-7(3)4-9-5-10-8/h6,8-10H,3-5H2,1-2H3
InChIKeyWFPXMHBYDGGAIT-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.72
Rot. Bonds1

About 5-methylidene-4-propan-2-yl-1,3-diazinane

5-methylidene-4-propan-2-yl-1,3-diazinane (PubChem CID 123147188) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-methylidene-4-propan-2-yl-1,3-diazinane.

Molecular Properties

Compound Name5-methylidene-4-propan-2-yl-1,3-diazinane
PubChem CID123147188
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-methylidene-4-propan-2-yl-1,3-diazinane
SMILESC=C1CNCNC1C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8-7(3)4-9-5-10-8/h6,8-10H,3-5H2,1-2H3
InChIKeyWFPXMHBYDGGAIT-UHFFFAOYSA-N
XLogP0.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-4-[(2S)-2-fluoro-6-methylhept-6-enyl]-2,5-dimethyl-1,3-diazinane
CID 173982963
1-(2,2,5-Trimethyl-4-methylidenehexan-3-yl)-1,3-diazinane
CID 69616752
N,6-dimethyl-3-methylidenepiperidin-2-amine
CID 90837651
5-methylidene-N-(2-methylpropyl)piperidin-2-amine
CID 90838657
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-ethyl-5-methylidenepiperidin-2-amine
CID 91243312
4,6-Dimethyl-3-methylidenepiperidin-2-amine
CID 91275554
3-Methyl-5-methylidenepiperidin-2-amine
CID 91385869
N,3-dimethyl-5-methylidenepiperidin-2-amine
CID 123220720
N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine
CID 123761400

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-propan-2-yl-1,3-diazinane?
The IUPAC name of 5-methylidene-4-propan-2-yl-1,3-diazinane (CID 123147188) is 5-methylidene-4-propan-2-yl-1,3-diazinane.
What is the SMILES notation for 5-methylidene-4-propan-2-yl-1,3-diazinane?
The canonical SMILES for 5-methylidene-4-propan-2-yl-1,3-diazinane is C=C1CNCNC1C(C)C.
What is the InChIKey of 5-methylidene-4-propan-2-yl-1,3-diazinane?
The InChIKey is WFPXMHBYDGGAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8-7(3)4-9-5-10-8/h6,8-10H,3-5H2,1-2H3.
What are the key properties of 5-methylidene-4-propan-2-yl-1,3-diazinane?
5-methylidene-4-propan-2-yl-1,3-diazinane has a molecular weight of 140.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-propan-2-yl-1,3-diazinane is sourced from PubChem (CID 123147188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).