1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane

C15H22N2 — CID 101109605

IUPAC1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane
SMILESC=CCC1N(C)CC(c2ccccc2)CN1C
InChIInChI=1S/C15H22N2/c1-4-8-15-16(2)11-14(12-17(15)3)13-9-6-5-7-10-13/h4-7,9-10,14-15H,1,8,11-12H2,2-3H3
InChIKeyFDVMYQLVRYQZDH-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.55
Rot. Bonds3

About 1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane

1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane (PubChem CID 101109605) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane.

Molecular Properties

Compound Name1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane
PubChem CID101109605
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane
SMILESC=CCC1N(C)CC(c2ccccc2)CN1C
InChIInChI=1S/C15H22N2/c1-4-8-15-16(2)11-14(12-17(15)3)13-9-6-5-7-10-13/h4-7,9-10,14-15H,1,8,11-12H2,2-3H3
InChIKeyFDVMYQLVRYQZDH-UHFFFAOYSA-N
XLogP2.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane?
The IUPAC name of 1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane (CID 101109605) is 1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane.
What is the SMILES notation for 1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane?
The canonical SMILES for 1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane is C=CCC1N(C)CC(c2ccccc2)CN1C.
What is the InChIKey of 1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane?
The InChIKey is FDVMYQLVRYQZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-8-15-16(2)11-14(12-17(15)3)13-9-6-5-7-10-13/h4-7,9-10,14-15H,1,8,11-12H2,2-3H3.
What are the key properties of 1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane?
1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane has a molecular weight of 230.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane is sourced from PubChem (CID 101109605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).