(E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine

C15H29NO — CID 145021226

IUPAC(E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine
SMILESCC(C)/C=N/O/C(=C\CCC(C)C)CC(C)C
InChIInChI=1S/C15H29NO/c1-12(2)8-7-9-15(10-13(3)4)17-16-11-14(5)6/h9,11-14H,7-8,10H2,1-6H3/b15-9-,16-11+
InChIKeyBMDPWZTXEIBFTD-HEKJOVTRSA-N
MW239.40 g/mol
LogP5.01
Rot. Bonds8

About (E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine

(E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine (PubChem CID 145021226) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine
PubChem CID145021226
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine
SMILESCC(C)/C=N/O/C(=C\CCC(C)C)CC(C)C
InChIInChI=1S/C15H29NO/c1-12(2)8-7-9-15(10-13(3)4)17-16-11-14(5)6/h9,11-14H,7-8,10H2,1-6H3/b15-9-,16-11+
InChIKeyBMDPWZTXEIBFTD-HEKJOVTRSA-N
XLogP5.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-5-(4-methylpent-3-enyl)-4H-1,2-oxazole
CID 142605480
(NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine
CID 11019093
N-(2,6-dimethylhept-5-enylidene)hydroxylamine
CID 85369167
N-methoxy-2-methyloct-5-en-1-imine
CID 88157209
4-ethyl-6-methyl-4H-oxazine
CID 123962480
6-(2,2-dimethylpropyl)-4H-oxazine
CID 129276517
(NZ)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine
CID 145638567
N-(cyclohexen-1-yloxy)-2-methylpropan-1-imine
CID 173606196
(E)-1-cyclohex-3-en-1-yl-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 133627910
N-(2,6,10-trimethylundeca-5,9-dienylidene)hydroxylamine
CID 162933696
(NZ)-N-[(2R)-2,6-dimethylhept-5-enylidene]hydroxylamine
CID 172959330

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine?
The IUPAC name of (E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine (CID 145021226) is (E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine.
What is the SMILES notation for (E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine?
The canonical SMILES for (E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine is CC(C)/C=N/O/C(=C\CCC(C)C)CC(C)C.
What is the InChIKey of (E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine?
The InChIKey is BMDPWZTXEIBFTD-HEKJOVTRSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)8-7-9-15(10-13(3)4)17-16-11-14(5)6/h9,11-14H,7-8,10H2,1-6H3/b15-9-,16-11+.
What are the key properties of (E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine?
(E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine has a molecular weight of 239.40 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-2,8-dimethylnon-4-en-4-yl]oxy-2-methylpropan-1-imine is sourced from PubChem (CID 145021226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).