3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine

C19H30N2O2 — CID 123864092

IUPAC3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine
SMILESC=C1C(=CC)C=C(C=CC)C(=C)N1CCOCCOCCCN
InChIInChI=1S/C19H30N2O2/c1-5-8-19-15-18(6-2)16(3)21(17(19)4)10-12-23-14-13-22-11-7-9-20/h5-6,8,15H,3-4,7,9-14,20H2,1-2H3
InChIKeyPMTWPBOYWVNANL-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.16
Rot. Bonds10

About 3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine

3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine (PubChem CID 123864092) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine
PubChem CID123864092
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine
SMILESC=C1C(=CC)C=C(C=CC)C(=C)N1CCOCCOCCCN
InChIInChI=1S/C19H30N2O2/c1-5-8-19-15-18(6-2)16(3)21(17(19)4)10-12-23-14-13-22-11-7-9-20/h5-6,8,15H,3-4,7,9-14,20H2,1-2H3
InChIKeyPMTWPBOYWVNANL-UHFFFAOYSA-N
XLogP3.16
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 162572553
CID 162572553
CID 144248985
CID 144248985
CID 144886755
CID 144886755
CID 144886759
CID 144886759
CID 144915416
CID 144915416
CID 154417919
CID 154417919
CID 155174680
CID 155174680
CID 168173136
CID 168173136
CID 169604527
CID 169604527
CID 5248582
CID 5248582
CID 144915417
CID 144915417

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine?
The IUPAC name of 3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine (CID 123864092) is 3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine.
What is the SMILES notation for 3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine?
The canonical SMILES for 3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine is C=C1C(=CC)C=C(C=CC)C(=C)N1CCOCCOCCCN.
What is the InChIKey of 3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine?
The InChIKey is PMTWPBOYWVNANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-8-19-15-18(6-2)16(3)21(17(19)4)10-12-23-14-13-22-11-7-9-20/h5-6,8,15H,3-4,7,9-14,20H2,1-2H3.
What are the key properties of 3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine?
3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine has a molecular weight of 318.46 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine is sourced from PubChem (CID 123864092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).