3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine

C15H30N2O2 — CID 123589481

IUPAC3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine
SMILESC=C(OCCCN(C)C)C(=CC)OCCCN(C)C
InChIInChI=1S/C15H30N2O2/c1-7-15(19-13-9-11-17(5)6)14(2)18-12-8-10-16(3)4/h7H,2,8-13H2,1,3-6H3
InChIKeyLKVPGJOKFDKDPV-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds11

About 3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine

3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine (PubChem CID 123589481) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine
PubChem CID123589481
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine
SMILESC=C(OCCCN(C)C)C(=CC)OCCCN(C)C
InChIInChI=1S/C15H30N2O2/c1-7-15(19-13-9-11-17(5)6)14(2)18-12-8-10-16(3)4/h7H,2,8-13H2,1,3-6H3
InChIKeyLKVPGJOKFDKDPV-UHFFFAOYSA-N
XLogP2.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-Methoxyhexa-2,4-dien-3-yloxy)propyl]-4-methylpiperazine
CID 123476847
3-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 141976049
ethane;3-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 141976054
3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane
CID 142460709
N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene
CID 142845365
N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypropan-1-amine;ethane
CID 143824321
ethane;(1E)-1-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]-N,N-dimethylmethanamine
CID 178170687
3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 142460710
N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypropan-1-amine
CID 143824322

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine (CID 123589481) is 3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine is C=C(OCCCN(C)C)C(=CC)OCCCN(C)C.
What is the InChIKey of 3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine?
The InChIKey is LKVPGJOKFDKDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-15(19-13-9-11-17(5)6)14(2)18-12-8-10-16(3)4/h7H,2,8-13H2,1,3-6H3.
What are the key properties of 3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine?
3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 2.34, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 123589481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).