N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine

C13H24N2O3 — CID 142884056

IUPACN'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine
SMILESCOC1=CCC(OCCOCCNCCN)C=C1
InChIInChI=1S/C13H24N2O3/c1-16-12-2-4-13(5-3-12)18-11-10-17-9-8-15-7-6-14/h2-4,13,15H,5-11,14H2,1H3
InChIKeyPZPONLCEKOLMQW-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.43
Rot. Bonds10

About N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine

N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine (PubChem CID 142884056) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine
PubChem CID142884056
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine
SMILESCOC1=CCC(OCCOCCNCCN)C=C1
InChIInChI=1S/C13H24N2O3/c1-16-12-2-4-13(5-3-12)18-11-10-17-9-8-15-7-6-14/h2-4,13,15H,5-11,14H2,1H3
InChIKeyPZPONLCEKOLMQW-UHFFFAOYSA-N
XLogP0.43
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-N-[2-[(2E,4Z)-1-methoxyhepta-2,4,6-trien-2-yl]oxyethyl]octa-2,4-dien-1-amine
CID 88313578
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N-methylethanamine
CID 89688709
1-(2-Octa-4,6-dien-3-yloxyethyl)piperazine
CID 123147935
4-[2-[2-(2-Methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol
CID 129195852
(E)-1-N-butyl-2-N-methyl-5-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]pent-4-ene-1,2-diamine
CID 129296016
N'-(2,3,7,8-tetrahydro-1,4-benzodioxin-3-ylmethyl)ethane-1,2-diamine
CID 140361644
N-[2-[2-(2-cyclohexa-1,5-dien-1-yloxyethoxy)ethoxy]ethyl]propan-1-amine
CID 141880851
1-(3,7-dihydro-2H-cyclohepta[b][1,4]dioxin-3-yl)-N-methylmethanamine
CID 142908142
2-[(2-Ethoxycyclohexa-1,3-dien-1-yl)oxymethyl]morpholine
CID 144264917
2-Methoxycyclohexa-1,3-diene;morpholine
CID 144463140
N-[2-(3-amino-6-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 163436105
(E)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 102648230

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine (CID 142884056) is N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine is COC1=CCC(OCCOCCNCCN)C=C1.
What is the InChIKey of N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is PZPONLCEKOLMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-16-12-2-4-13(5-3-12)18-11-10-17-9-8-15-7-6-14/h2-4,13,15H,5-11,14H2,1H3.
What are the key properties of N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine?
N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 0.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 142884056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).