3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane

C12H24N2O — CID 114469706

IUPAC3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane
SMILESC=C(C)COCCN1CCCNC(C)C1
InChIInChI=1S/C12H24N2O/c1-11(2)10-15-8-7-14-6-4-5-13-12(3)9-14/h12-13H,1,4-10H2,2-3H3
InChIKeyRBPZLXWZXVETIT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds5

About 3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane

3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane (PubChem CID 114469706) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane
PubChem CID114469706
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane
SMILESC=C(C)COCCN1CCCNC(C)C1
InChIInChI=1S/C12H24N2O/c1-11(2)10-15-8-7-14-6-4-5-13-12(3)9-14/h12-13H,1,4-10H2,2-3H3
InChIKeyRBPZLXWZXVETIT-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(3-propoxypropyl)-1,4-diazepane
CID 82947779
1-[4-(2-methoxyethoxy)butyl]-3-methyl-1,4-diazepane
CID 113464190
(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine
CID 104975739
1-(3-fluoropropyl)-3-methyl-1,4-diazepane
CID 81113476
3-methyl-1-(5-methylhexyl)-1,4-diazepane
CID 115327095
1-[2-(2-methylprop-2-enoxy)ethyl]-1,3-diazinan-2-one
CID 114469875
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
CID 103181598
3-methyl-1-(5,5,5-trifluoropentyl)-1,4-diazepane
CID 115522482
1-hex-5-ynyl-3-methyl-1,4-diazepane
CID 106211631
N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine
CID 64951139
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
5-cyclopropyl-2-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 114469746

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane?
The IUPAC name of 3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane (CID 114469706) is 3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane.
What is the SMILES notation for 3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane?
The canonical SMILES for 3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane is C=C(C)COCCN1CCCNC(C)C1.
What is the InChIKey of 3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane?
The InChIKey is RBPZLXWZXVETIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)10-15-8-7-14-6-4-5-13-12(3)9-14/h12-13H,1,4-10H2,2-3H3.
What are the key properties of 3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane?
3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane has a molecular weight of 212.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane is sourced from PubChem (CID 114469706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).