[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine

C14H23N3 — CID 144997949

IUPAC[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine
SMILES[H]/N=C/N1C=CC(C)(C)N=C1/C=C\C(C)C(C)C
InChIInChI=1S/C14H23N3/c1-11(2)12(3)6-7-13-16-14(4,5)8-9-17(13)10-15/h6-12,15H,1-5H3/b7-6-,15-10+
InChIKeyXKYLHUYFWNCSGG-GZJRMXIGSA-N
MW233.36 g/mol
LogP3.45
Rot. Bonds4

About [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine

[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine (PubChem CID 144997949) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine.

Molecular Properties

Compound Name[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine
PubChem CID144997949
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine
SMILES[H]/N=C/N1C=CC(C)(C)N=C1/C=C\C(C)C(C)C
InChIInChI=1S/C14H23N3/c1-11(2)12(3)6-7-13-16-14(4,5)8-9-17(13)10-15/h6-12,15H,1-5H3/b7-6-,15-10+
InChIKeyXKYLHUYFWNCSGG-GZJRMXIGSA-N
XLogP3.45
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine?
The IUPAC name of [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine (CID 144997949) is [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine.
What is the SMILES notation for [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine?
The canonical SMILES for [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine is [H]/N=C/N1C=CC(C)(C)N=C1/C=C\C(C)C(C)C.
What is the InChIKey of [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine?
The InChIKey is XKYLHUYFWNCSGG-GZJRMXIGSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)12(3)6-7-13-16-14(4,5)8-9-17(13)10-15/h6-12,15H,1-5H3/b7-6-,15-10+.
What are the key properties of [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine?
[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine has a molecular weight of 233.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine is sourced from PubChem (CID 144997949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).