N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine

C16H26N2O — CID 143581200

IUPACN-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine
SMILESC=C(C)N1C/C=C/C=C(OCCNC(C)C)\C=C\C1
InChIInChI=1S/C16H26N2O/c1-14(2)17-10-13-19-16-8-5-6-11-18(15(3)4)12-7-9-16/h5-9,14,17H,3,10-13H2,1-2,4H3/b6-5+,9-7+,16-8+
InChIKeyWJGXYQNKIROGEQ-CMBCHSOGSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds6

About N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine

N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine (PubChem CID 143581200) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine
PubChem CID143581200
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine
SMILESC=C(C)N1C/C=C/C=C(OCCNC(C)C)\C=C\C1
InChIInChI=1S/C16H26N2O/c1-14(2)17-10-13-19-16-8-5-6-11-18(15(3)4)12-7-9-16/h5-9,14,17H,3,10-13H2,1-2,4H3/b6-5+,9-7+,16-8+
InChIKeyWJGXYQNKIROGEQ-CMBCHSOGSA-N
XLogP2.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine with MolForge

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Related Compounds

(3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine
CID 88957062
2-(1-Ethoxyethenyl)-1,1,5-trimethylpyrrol-1-ium-3-amine
CID 123967918
6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
CID 132040108
N-propan-2-yl-N'-[(3E,5Z)-2-prop-2-enoxyhepta-1,3,5-trien-3-yl]propane-1,3-diamine
CID 137483900
(5Z,7Z,9Z,11Z,13Z)-3,4-dihydro-2H-cyclododeca[b][1,4]oxazine
CID 141518119
[5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazin-2-yl]methanamine
CID 141967154
(3E,5E)-6-[2-(diethylamino)ethoxy]hepta-1,3,5-trien-3-amine
CID 142260517
5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane
CID 142875287
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875398
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875399
(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenemorpholine
CID 142996544
(3E,5E)-5-ethoxy-N-methylhepta-1,3,5-trien-4-amine
CID 143012572

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine (CID 143581200) is N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine is C=C(C)N1C/C=C/C=C(OCCNC(C)C)\C=C\C1.
What is the InChIKey of N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine?
The InChIKey is WJGXYQNKIROGEQ-CMBCHSOGSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(2)17-10-13-19-16-8-5-6-11-18(15(3)4)12-7-9-16/h5-9,14,17H,3,10-13H2,1-2,4H3/b6-5+,9-7+,16-8+.
What are the key properties of N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine?
N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3E,5E,7E)-1-prop-1-en-2-yl-2,9-dihydroazonin-5-yl]oxy]ethyl]propan-2-amine is sourced from PubChem (CID 143581200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).