(2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane

C19H30N4O — CID 164858479

IUPAC(2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane
SMILESC/N=C/C(=N\N)c1ccc(N2CC(C)(C)C2)cc1OC1CC1.CC
InChIInChI=1S/C17H24N4O.C2H6/c1-17(2)10-21(11-17)12-4-7-14(15(20-18)9-19-3)16(8-12)22-13-5-6-13;1-2/h4,7-9,13H,5-6,10-11,18H2,1-3H3;1-2H3/b19-9+,20-15+;
InChIKeyATELXQYNQMSTDE-HKUFFGAVSA-N
MW330.48 g/mol
LogP3.46
Rot. Bonds5

About (2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane

(2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane (PubChem CID 164858479) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane.

Molecular Properties

Compound Name(2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane
PubChem CID164858479
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane
SMILESC/N=C/C(=N\N)c1ccc(N2CC(C)(C)C2)cc1OC1CC1.CC
InChIInChI=1S/C17H24N4O.C2H6/c1-17(2)10-21(11-17)12-4-7-14(15(20-18)9-19-3)16(8-12)22-13-5-6-13;1-2/h4,7-9,13H,5-6,10-11,18H2,1-3H3;1-2H3/b19-9+,20-15+;
InChIKeyATELXQYNQMSTDE-HKUFFGAVSA-N
XLogP3.46
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane?
The IUPAC name of (2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane (CID 164858479) is (2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane.
What is the SMILES notation for (2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane?
The canonical SMILES for (2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane is C/N=C/C(=N\N)c1ccc(N2CC(C)(C)C2)cc1OC1CC1.CC.
What is the InChIKey of (2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane?
The InChIKey is ATELXQYNQMSTDE-HKUFFGAVSA-N. The full InChI is InChI=1S/C17H24N4O.C2H6/c1-17(2)10-21(11-17)12-4-7-14(15(20-18)9-19-3)16(8-12)22-13-5-6-13;1-2/h4,7-9,13H,5-6,10-11,18H2,1-3H3;1-2H3/b19-9+,20-15+;.
What are the key properties of (2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane?
(2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane has a molecular weight of 330.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane is sourced from PubChem (CID 164858479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).