3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine

C11H18N2 — CID 90994728

IUPAC3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine
SMILESCC=C1CN(C)CCC=C(C)/C=N\1
InChIInChI=1S/C11H18N2/c1-4-11-9-13(3)7-5-6-10(2)8-12-11/h4,6,8H,5,7,9H2,1-3H3/b10-6?,11-4?,12-8-
InChIKeyAWAWBRYUXXQXAJ-PWTIWOBXSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds

About 3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine

3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine (PubChem CID 90994728) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine.

Molecular Properties

Compound Name3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine
PubChem CID90994728
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine
SMILESCC=C1CN(C)CCC=C(C)/C=N\1
InChIInChI=1S/C11H18N2/c1-4-11-9-13(3)7-5-6-10(2)8-12-11/h4,6,8H,5,7,9H2,1-3H3/b10-6?,11-4?,12-8-
InChIKeyAWAWBRYUXXQXAJ-PWTIWOBXSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-N-[(Z)-2-(2-methylidenebutylideneamino)but-2-enyl]propane-1,2-diamine
CID 88061817
2-methyl-6-[(4-propylpiperazin-1-yl)methyl]-4H-azepine
CID 134406208
N-ethyl-N'-[(2-methyl-4H-azepin-6-yl)methyl]ethane-1,2-diamine
CID 134406309
ethane;N-[2-[[(2Z)-2-ethylidenehexylidene]amino]prop-2-enyl]-N-prop-1-en-2-ylpentan-2-amine
CID 141877088
2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine
CID 142517657
(2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine
CID 142584174
(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]-2-[(4-methylpiperazin-1-yl)methyl]but-2-en-1-imine
CID 145198155
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-(3-methylbut-1-en-2-yl)methanimine
CID 145587891
(6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine
CID 153397882
(E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine
CID 170633779
N-[2-[[(2Z)-2-ethylidenehexylidene]amino]prop-2-enyl]-N-prop-1-en-2-ylpentan-2-amine
CID 141877089

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine?
The IUPAC name of 3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine (CID 90994728) is 3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine.
What is the SMILES notation for 3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine?
The canonical SMILES for 3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine is CC=C1CN(C)CCC=C(C)/C=N\1.
What is the InChIKey of 3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine?
The InChIKey is AWAWBRYUXXQXAJ-PWTIWOBXSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-11-9-13(3)7-5-6-10(2)8-12-11/h4,6,8H,5,7,9H2,1-3H3/b10-6?,11-4?,12-8-.
What are the key properties of 3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine?
3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine has a molecular weight of 178.28 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine is sourced from PubChem (CID 90994728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).