[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine

C17H29N3 — CID 144998076

IUPAC[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine
SMILES[H]/N=C/N1C=CC(C)(C(C)C)N=C1/C=C\C(C)C(C)(C)C
InChIInChI=1S/C17H29N3/c1-13(2)17(7)10-11-20(12-18)15(19-17)9-8-14(3)16(4,5)6/h8-14,18H,1-7H3/b9-8-,18-12+
InChIKeyHROWMJXUOUCKNP-DOVXYIQDSA-N
MW275.44 g/mol
LogP4.47
Rot. Bonds4

About [4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine

[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine (PubChem CID 144998076) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is [4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine.

Molecular Properties

Compound Name[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine
PubChem CID144998076
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine
SMILES[H]/N=C/N1C=CC(C)(C(C)C)N=C1/C=C\C(C)C(C)(C)C
InChIInChI=1S/C17H29N3/c1-13(2)17(7)10-11-20(12-18)15(19-17)9-8-14(3)16(4,5)6/h8-14,18H,1-7H3/b9-8-,18-12+
InChIKeyHROWMJXUOUCKNP-DOVXYIQDSA-N
XLogP4.47
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
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
1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine;ethane
CID 144812745
ethane;5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine
CID 144812786
[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane
CID 144997948
2,8-Dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine;ethane
CID 144997975
2-Tert-butyl-2,8,8-trimethylpyrimido[1,2-a]azepine;2-methylpropane
CID 144997998
[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine
CID 144998032
8-Tert-butyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine;ethane
CID 144998055
8-Ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
CID 146497600
N,5-dimethyl-1-[(Z)-pent-1-enyl]-5-propan-2-ylazepin-2-imine
CID 146497997
1-[(Z)-but-1-enyl]-N,5-dimethyl-5-propan-2-ylazepin-2-imine;ethane
CID 153551572
[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine
CID 144812696

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine?
The IUPAC name of [4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine (CID 144998076) is [4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine.
What is the SMILES notation for [4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine?
The canonical SMILES for [4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine is [H]/N=C/N1C=CC(C)(C(C)C)N=C1/C=C\C(C)C(C)(C)C.
What is the InChIKey of [4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine?
The InChIKey is HROWMJXUOUCKNP-DOVXYIQDSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)17(7)10-11-20(12-18)15(19-17)9-8-14(3)16(4,5)6/h8-14,18H,1-7H3/b9-8-,18-12+.
What are the key properties of [4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine?
[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine has a molecular weight of 275.44 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 [4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine is sourced from PubChem (CID 144998076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).