N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene

C15H29NO — CID 142845365

IUPACN,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene
SMILESC/C=C\C(=C/C=C/C)OCC.CCCN(C)C
InChIInChI=1S/C10H16O.C5H13N/c1-4-7-9-10(8-5-2)11-6-3;1-4-5-6(2)3/h4-5,7-9H,6H2,1-3H3;4-5H2,1-3H3/b7-4+,8-5-,10-9+;
InChIKeyGBKKMAJENFSGOY-OCRXSUIOSA-N
MW239.40 g/mol
LogP4.02
Rot. Bonds6

About N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene

N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene (PubChem CID 142845365) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene.

Molecular Properties

Compound NameN,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene
PubChem CID142845365
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene
SMILESC/C=C\C(=C/C=C/C)OCC.CCCN(C)C
InChIInChI=1S/C10H16O.C5H13N/c1-4-7-9-10(8-5-2)11-6-3;1-4-5-6(2)3/h4-5,7-9H,6H2,1-3H3;4-5H2,1-3H3/b7-4+,8-5-,10-9+;
InChIKeyGBKKMAJENFSGOY-OCRXSUIOSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene with MolForge

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Related Compounds

2-Dimethylamino-3-methyl-2h-pyran
CID 129789600
6-Di-n-propylaminopyran
CID 129807214
N-ethyl-3-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]oxy-N-propylbutan-1-amine
CID 142159520
3-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 18470682
(1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine
CID 22448322
N,N-dimethyl-1-pyran-2-ylidenemethanamine
CID 54247002
magnesium;N,N-dimethyl-4-(phenoxy)butan-1-amine;chloride
CID 58969108
magnesium;N,N-dimethyl-4-(phenoxy)butan-1-amine;chloride
CID 58969110
5,6-dimethoxy-1-propyl-2H-pyridine
CID 70580547
magnesium;N,N-diethyl-3-(phenoxy)propan-1-amine;chloride
CID 87528523
magnesium;N,N-dimethyl-3-(phenoxy)propan-1-amine;chloride
CID 87528633
3-[3-[3-(dimethylamino)propoxy]penta-1,3-dien-2-yloxy]-N,N-dimethylpropan-1-amine
CID 123589481

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene?
The IUPAC name of N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene (CID 142845365) is N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene.
What is the SMILES notation for N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene?
The canonical SMILES for N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene is C/C=C\C(=C/C=C/C)OCC.CCCN(C)C.
What is the InChIKey of N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene?
The InChIKey is GBKKMAJENFSGOY-OCRXSUIOSA-N. The full InChI is InChI=1S/C10H16O.C5H13N/c1-4-7-9-10(8-5-2)11-6-3;1-4-5-6(2)3/h4-5,7-9H,6H2,1-3H3;4-5H2,1-3H3/b7-4+,8-5-,10-9+;.
What are the key properties of N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene?
N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene has a molecular weight of 239.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-1-amine;(2Z,4E,6E)-4-ethoxyocta-2,4,6-triene is sourced from PubChem (CID 142845365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).