1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol

C10H14N2O — CID 163445325

IUPAC1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol
SMILESC=CC(O)NC1=CCCC=C1N=C
InChIInChI=1S/C10H14N2O/c1-3-10(13)12-9-7-5-4-6-8(9)11-2/h3,6-7,10,12-13H,1-2,4-5H2
InChIKeyBCADPCHWSQBNHH-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.34
Rot. Bonds4

About 1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol

1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol (PubChem CID 163445325) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol
PubChem CID163445325
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol
SMILESC=CC(O)NC1=CCCC=C1N=C
InChIInChI=1S/C10H14N2O/c1-3-10(13)12-9-7-5-4-6-8(9)11-2/h3,6-7,10,12-13H,1-2,4-5H2
InChIKeyBCADPCHWSQBNHH-UHFFFAOYSA-N
XLogP1.34
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 142493166
1-[(5-amino-6-chloropyrimidin-4-yl)amino]prop-2-en-1-ol
CID 88512150
N-buta-1,3-dien-2-yl-5-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 167082856
N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
CID 152858957
N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane
CID 144546246
N-(5-ethenyl-2,3-dihydropyridin-6-yl)methanimine
CID 142356722
N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen
CID 177135488
1-(6-ethenylcyclohexa-1,5-dien-1-yl)ethenol
CID 89328254
1-[2-[(2-amino-5-chloropyrimidin-4-yl)amino]anilino]prop-2-en-1-ol
CID 123391803
2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one
CID 134978023
5-ethenyl-N-propan-2-ylcyclohepta-1,4,6-trien-1-amine
CID 144649841
1-N'-cyclohepta-1,4,6-trien-1-yl-1-N-prop-2-enylethane-1,1-diamine
CID 142224867

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol?
The IUPAC name of 1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol (CID 163445325) is 1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol.
What is the SMILES notation for 1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol?
The canonical SMILES for 1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol is C=CC(O)NC1=CCCC=C1N=C.
What is the InChIKey of 1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol?
The InChIKey is BCADPCHWSQBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-10(13)12-9-7-5-4-6-8(9)11-2/h3,6-7,10,12-13H,1-2,4-5H2.
What are the key properties of 1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol?
1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol is sourced from PubChem (CID 163445325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).