5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane

C14H26N2 — CID 123788235

IUPAC5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane
SMILESC=C(C)CN1CC(CCCC)C(=C)C(C)N1
InChIInChI=1S/C14H26N2/c1-6-7-8-14-10-16(9-11(2)3)15-13(5)12(14)4/h13-15H,2,4,6-10H2,1,3,5H3
InChIKeyJVIAZOIDJMUZKF-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.13
Rot. Bonds5

About 5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane

5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane (PubChem CID 123788235) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane.

Molecular Properties

Compound Name5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane
PubChem CID123788235
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane
SMILESC=C(C)CN1CC(CCCC)C(=C)C(C)N1
InChIInChI=1S/C14H26N2/c1-6-7-8-14-10-16(9-11(2)3)15-13(5)12(14)4/h13-15H,2,4,6-10H2,1,3,5H3
InChIKeyJVIAZOIDJMUZKF-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2,2,3-tetrakis(prop-2-enyl)piperidin-1-amine
CID 70379927
4-Ethyl-2-prop-1-en-2-ylpiperidine
CID 89187432
3-Methyl-5-methylidene-2-(2-methylpropyl)piperidine
CID 90909619
3-Ethyl-2,6-dimethyl-5-methylidenepiperidine
CID 124201331
2-But-1-en-2-yl-2-ethylpiperidin-1-amine
CID 130243524
1-[(2S)-2-ethenyl-4-methylpiperidin-3-yl]-1-methylhydrazine
CID 134292178
3-Ethyl-2,5-bis(prop-1-en-2-yl)piperidine
CID 134394906
4-Ethyl-2,6-dimethyl-3-methylidenepiperidine
CID 134467475
trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
CID 135138006
4-(2,4-Dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine
CID 135161873
4-Pent-1-en-2-ylpiperidin-1-amine
CID 139333183
trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 142374960

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane?
The IUPAC name of 5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane (CID 123788235) is 5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane.
What is the SMILES notation for 5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane?
The canonical SMILES for 5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane is C=C(C)CN1CC(CCCC)C(=C)C(C)N1.
What is the InChIKey of 5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane?
The InChIKey is JVIAZOIDJMUZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-7-8-14-10-16(9-11(2)3)15-13(5)12(14)4/h13-15H,2,4,6-10H2,1,3,5H3.
What are the key properties of 5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane?
5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane has a molecular weight of 222.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-methyl-4-methylidene-1-(2-methylprop-2-enyl)diazinane is sourced from PubChem (CID 123788235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).