1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine

C14H20N2O3 — CID 72609352

IUPAC1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine
SMILESCCCOc1ccc(C(=NOC)C(C)=NOC)cc1
InChIInChI=1S/C14H20N2O3/c1-5-10-19-13-8-6-12(7-9-13)14(16-18-4)11(2)15-17-3/h6-9H,5,10H2,1-4H3
InChIKeyRBJFJJNORNQAKE-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.85
Rot. Bonds7

About 1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine

1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine (PubChem CID 72609352) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine
PubChem CID72609352
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine
SMILESCCCOc1ccc(C(=NOC)C(C)=NOC)cc1
InChIInChI=1S/C14H20N2O3/c1-5-10-19-13-8-6-12(7-9-13)14(16-18-4)11(2)15-17-3/h6-9H,5,10H2,1-4H3
InChIKeyRBJFJJNORNQAKE-UHFFFAOYSA-N
XLogP2.85
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

(2Z)-2-methoxyimino-2-(4-octoxyphenyl)acetic acid
CID 19969078
1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684350
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-propoxypropane-1,2-diimine
CID 20684351
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967596
(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate
CID 58981515
O-ethyl 4-propoxybenzenecarbothioate
CID 131848958
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
dioxido-(4-propoxyphenoxy)borane
CID 86756777

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine?
The IUPAC name of 1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine (CID 72609352) is 1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine.
What is the SMILES notation for 1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine?
The canonical SMILES for 1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine is CCCOc1ccc(C(=NOC)C(C)=NOC)cc1.
What is the InChIKey of 1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine?
The InChIKey is RBJFJJNORNQAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-10-19-13-8-6-12(7-9-13)14(16-18-4)11(2)15-17-3/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine?
1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine has a molecular weight of 264.32 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine is sourced from PubChem (CID 72609352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).