N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine

C13H26N2O4 — CID 87438140

IUPACN-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine
SMILESCOC(C/N=C(\C)C=C(C)NCC(OC)OC)OC
InChIInChI=1S/C13H26N2O4/c1-10(14-8-12(16-3)17-4)7-11(2)15-9-13(18-5)19-6/h7,12-14H,8-9H2,1-6H3/b10-7?,15-11+
InChIKeyDEIVSKPYTYDDAI-INCRLWACSA-N
MW274.36 g/mol
LogP1.18
Rot. Bonds10

About N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine

N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine (PubChem CID 87438140) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine
PubChem CID87438140
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine
SMILESCOC(C/N=C(\C)C=C(C)NCC(OC)OC)OC
InChIInChI=1S/C13H26N2O4/c1-10(14-8-12(16-3)17-4)7-11(2)15-9-13(18-5)19-6/h7,12-14H,8-9H2,1-6H3/b10-7?,15-11+
InChIKeyDEIVSKPYTYDDAI-INCRLWACSA-N
XLogP1.18
TPSA61.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine (CID 87438140) is N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine is COC(C/N=C(\C)C=C(C)NCC(OC)OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine?
The InChIKey is DEIVSKPYTYDDAI-INCRLWACSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-10(14-8-12(16-3)17-4)7-11(2)15-9-13(18-5)19-6/h7,12-14H,8-9H2,1-6H3/b10-7?,15-11+.
What are the key properties of N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine?
N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine has a molecular weight of 274.36 g/mol, XLogP of 1.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-(2,2-dimethoxyethylimino)pent-2-en-2-amine is sourced from PubChem (CID 87438140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).