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

C16H29N3 — CID 144997948

IUPAC[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane
SMILESCC.[H]/N=C/N1C=CC(C)(C)N=C1/C=C\C(C)C(C)C
InChIInChI=1S/C14H23N3.C2H6/c1-11(2)12(3)6-7-13-16-14(4,5)8-9-17(13)10-15;1-2/h6-12,15H,1-5H3;1-2H3/b7-6-,15-10+;
InChIKeyNDXNECXDJONQJX-AISWBYLUSA-N
MW263.43 g/mol
LogP4.47
Rot. Bonds4

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

[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane (PubChem CID 144997948) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane.

Molecular Properties

Compound Name[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane
PubChem CID144997948
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane
SMILESCC.[H]/N=C/N1C=CC(C)(C)N=C1/C=C\C(C)C(C)C
InChIInChI=1S/C14H23N3.C2H6/c1-11(2)12(3)6-7-13-16-14(4,5)8-9-17(13)10-15;1-2/h6-12,15H,1-5H3;1-2H3/b7-6-,15-10+;
InChIKeyNDXNECXDJONQJX-AISWBYLUSA-N
XLogP4.47
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.47
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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Related Compounds

[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane
CID 144812695
[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine
CID 144998032
[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine
CID 144998076
8-Ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
CID 146497600
3-[(Z)-but-1-enyl]-N-methyl-6-propan-2-ylpyrimidin-4-imine
CID 169949808
[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine
CID 144812696
[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine
CID 144997949
2,8-Dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine
CID 144997976
8-Tert-butyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
CID 144998056

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane?
The IUPAC name of [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane (CID 144997948) is [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane.
What is the SMILES notation for [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane?
The canonical SMILES for [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane is CC.[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;ethane?
The InChIKey is NDXNECXDJONQJX-AISWBYLUSA-N. The full InChI is InChI=1S/C14H23N3.C2H6/c1-11(2)12(3)6-7-13-16-14(4,5)8-9-17(13)10-15;1-2/h6-12,15H,1-5H3;1-2H3/b7-6-,15-10+;.
What are the key properties of [2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane?
[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane has a molecular weight of 263.43 g/mol, XLogP of 4.47, 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;ethane is sourced from PubChem (CID 144997948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).