N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine

C8H16N2O2 — CID 141489709

IUPACN'-(3,3-dimethoxypropyl)-N-ethylmethanediimine
SMILESCCN=C=NCCC(OC)OC
InChIInChI=1S/C8H16N2O2/c1-4-9-7-10-6-5-8(11-2)12-3/h8H,4-6H2,1-3H3
InChIKeyGODIXJSZOIVYDO-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.19
Rot. Bonds6

About N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine

N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine (PubChem CID 141489709) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine.

Molecular Properties

Compound NameN'-(3,3-dimethoxypropyl)-N-ethylmethanediimine
PubChem CID141489709
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN'-(3,3-dimethoxypropyl)-N-ethylmethanediimine
SMILESCCN=C=NCCC(OC)OC
InChIInChI=1S/C8H16N2O2/c1-4-9-7-10-6-5-8(11-2)12-3/h8H,4-6H2,1-3H3
InChIKeyGODIXJSZOIVYDO-UHFFFAOYSA-N
XLogP1.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-(4-methylpentyl)methanediimine chloride
CID 169423866
N-[2-(ethyliminomethylideneamino)ethyl]-N-propan-2-ylpropan-2-amine
CID 151363016
N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
N,N-diethyl-2-(ethyliminomethylideneamino)ethanamine
CID 87926600
N,N'-dipropylmethanediimine
CID 12725951
4-(ethyliminomethylideneamino)butane-2,2-diamine
CID 177255665
N-ethyl-N'-prop-2-enylmethanediimine
CID 54083373
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine
CID 150563881
4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride
CID 177255664
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine?
The IUPAC name of N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine (CID 141489709) is N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine.
What is the SMILES notation for N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine?
The canonical SMILES for N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine is CCN=C=NCCC(OC)OC.
What is the InChIKey of N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine?
The InChIKey is GODIXJSZOIVYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-9-7-10-6-5-8(11-2)12-3/h8H,4-6H2,1-3H3.
What are the key properties of N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine?
N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine has a molecular weight of 172.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethoxypropyl)-N-ethylmethanediimine is sourced from PubChem (CID 141489709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).