(Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine

C11H17N3 — CID 156526522

IUPAC(Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine
SMILESC/C=N\N1C=CC=N/C1=C/CC(C)C
InChIInChI=1S/C11H17N3/c1-4-13-14-9-5-8-12-11(14)7-6-10(2)3/h4-5,7-10H,6H2,1-3H3/b11-7-,13-4-
InChIKeyIYOWMTUAMKUIKM-LGURDOLXSA-N
MW191.28 g/mol
LogP2.78
Rot. Bonds3

About (Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine

(Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine (PubChem CID 156526522) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine
PubChem CID156526522
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine
SMILESC/C=N\N1C=CC=N/C1=C/CC(C)C
InChIInChI=1S/C11H17N3/c1-4-13-14-9-5-8-12-11(14)7-6-10(2)3/h4-5,7-10H,6H2,1-3H3/b11-7-,13-4-
InChIKeyIYOWMTUAMKUIKM-LGURDOLXSA-N
XLogP2.78
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Methyl-8,9-dihydropyrimido[1,2-a]azepine
CID 124002125
(Z)-N-[(2Z)-2-ethylidenepyrimidin-1-yl]ethanimine
CID 138618370
3-But-3-en-2-yl-3,7-dihydropyridazino[1,6-a][1,3]diazepine
CID 167065102
N-[(2Z)-2-ethylidene-5-propan-2-ylpyrimidin-1-yl]methanimine
CID 172607028
(E)-N,2,3-trimethyl-N-(methylideneamino)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
CID 172607148
(Z)-N-[(Z)-ethylideneamino]-N,4-dimethyl-1-(prop-2-enylideneamino)pent-1-en-1-amine
CID 173953406
N-(2-methylidene-4-propan-2-ylpyrimidin-1-yl)methanimine
CID 176699251

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine?
The IUPAC name of (Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine (CID 156526522) is (Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine.
What is the SMILES notation for (Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine?
The canonical SMILES for (Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine is C/C=N\N1C=CC=N/C1=C/CC(C)C.
What is the InChIKey of (Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine?
The InChIKey is IYOWMTUAMKUIKM-LGURDOLXSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-13-14-9-5-8-12-11(14)7-6-10(2)3/h4-5,7-10H,6H2,1-3H3/b11-7-,13-4-.
What are the key properties of (Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine?
(Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine has a molecular weight of 191.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2Z)-2-(3-methylbutylidene)pyrimidin-1-yl]ethanimine is sourced from PubChem (CID 156526522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).