1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine

C11H20N2O — CID 152655286

IUPAC1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine
SMILESCOCCNC1(C)C=CC=C(C)C1N
InChIInChI=1S/C11H20N2O/c1-9-5-4-6-11(2,10(9)12)13-7-8-14-3/h4-6,10,13H,7-8,12H2,1-3H3
InChIKeyZIKCKJQMVDRZSI-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.82
Rot. Bonds4

About 1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine

1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 152655286) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine
PubChem CID152655286
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine
SMILESCOCCNC1(C)C=CC=C(C)C1N
InChIInChI=1S/C11H20N2O/c1-9-5-4-6-11(2,10(9)12)13-7-8-14-3/h4-6,10,13H,7-8,12H2,1-3H3
InChIKeyZIKCKJQMVDRZSI-UHFFFAOYSA-N
XLogP0.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-Amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 67043350
(1S)-1-cyclohexa-2,4-dien-1-yl-N-(2-methoxyethyl)prop-2-en-1-amine
CID 89290271
N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methoxyethanamine
CID 89311458
2-(2-Methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine
CID 118272628
(2S,4Z,6Z)-1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methyl-3-methylideneocta-4,6-diene-1,2-diamine
CID 132122159
2-[(6-Amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
CID 140999885
ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine
CID 145473125
1-N-(2-methoxyethyl)-1-methylcyclohexa-3,5-diene-1,2-diamine
CID 149661001
1-methoxy-N-[2-(4-methylidenecyclohexa-1,5-dien-1-yl)propyl]ethane-1,2-diamine
CID 163862188
N-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine
CID 79177318
2,5-Dimethyl-5-morpholin-4-ylhept-2-en-4-amine
CID 79180287
N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine
CID 79180460

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine (CID 152655286) is 1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine is COCCNC1(C)C=CC=C(C)C1N.
What is the InChIKey of 1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is ZIKCKJQMVDRZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-5-4-6-11(2,10(9)12)13-7-8-14-3/h4-6,10,13H,7-8,12H2,1-3H3.
What are the key properties of 1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine?
1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 152655286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).