3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane

C17H35NO2 — CID 142460709

IUPAC3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane
SMILESC/C=C(OC)\C(=C/C)OCCCN(C)C.CCCCC
InChIInChI=1S/C12H23NO2.C5H12/c1-6-11(14-5)12(7-2)15-10-8-9-13(3)4;1-3-5-4-2/h6-7H,8-10H2,1-5H3;3-5H2,1-2H3/b11-6+,12-7+;
InChIKeyPEHBNPZWBHKTFE-BBLKRJOSSA-N
MW285.47 g/mol
LogP4.61
Rot. Bonds9

About 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane

3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane (PubChem CID 142460709) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane.

Molecular Properties

Compound Name3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane
PubChem CID142460709
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane
SMILESC/C=C(OC)\C(=C/C)OCCCN(C)C.CCCCC
InChIInChI=1S/C12H23NO2.C5H12/c1-6-11(14-5)12(7-2)15-10-8-9-13(3)4;1-3-5-4-2/h6-7H,8-10H2,1-5H3;3-5H2,1-2H3/b11-6+,12-7+;
InChIKeyPEHBNPZWBHKTFE-BBLKRJOSSA-N
XLogP4.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(1Z,3E,5E,7E)-deca-1,3,5,7,9-pentaenoxy]-2-[(3E,5E,7E)-deca-1,3,5,7,9-pentaen-2-yl]oxypropyl]-trimethylazanium
CID 118218039
3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine
CID 123589481
[3-[(1Z,3E,5E,7E)-deca-1,3,5,7,9-pentaenoxy]-2-[(3E,5E,7E)-deca-1,3,5,7,9-pentaen-2-yl]oxypropyl]-trimethylazanium chloride
CID 161425104
3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 142460710

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane?
The IUPAC name of 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane (CID 142460709) is 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane.
What is the SMILES notation for 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane?
The canonical SMILES for 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane is C/C=C(OC)\C(=C/C)OCCCN(C)C.CCCCC.
What is the InChIKey of 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane?
The InChIKey is PEHBNPZWBHKTFE-BBLKRJOSSA-N. The full InChI is InChI=1S/C12H23NO2.C5H12/c1-6-11(14-5)12(7-2)15-10-8-9-13(3)4;1-3-5-4-2/h6-7H,8-10H2,1-5H3;3-5H2,1-2H3/b11-6+,12-7+;.
What are the key properties of 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane?
3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane has a molecular weight of 285.47 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E)-4-methoxyhexa-2,4-dien-3-yl]oxy-N,N-dimethylpropan-1-amine;pentane is sourced from PubChem (CID 142460709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).