3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine

C10H19NO — CID 142914137

IUPAC3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine
SMILESCC/C=C\C=C/COCCCN
InChIInChI=1S/C10H19NO/c1-2-3-4-5-6-9-12-10-7-8-11/h3-6H,2,7-11H2,1H3/b4-3-,6-5-
InChIKeyOXXPUJAJDNCHBA-OUPQRBNQSA-N
MW169.27 g/mol
LogP1.87
Rot. Bonds7

About 3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine

3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine (PubChem CID 142914137) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine
PubChem CID142914137
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine
SMILESCC/C=C\C=C/COCCCN
InChIInChI=1S/C10H19NO/c1-2-3-4-5-6-9-12-10-7-8-11/h3-6H,2,7-11H2,1H3/b4-3-,6-5-
InChIKeyOXXPUJAJDNCHBA-OUPQRBNQSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2H-pyran-6-yl)ethanamine
CID 53908494
(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
CID 89209291
(1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine
CID 89364330
3-Ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine
CID 90685559
(Z,2R)-5-butoxypent-3-en-2-amine
CID 117828191
(Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine
CID 121274860
7,8-Dimethoxyocta-3,5,7-trien-1-amine
CID 123166948
3-Cyclohexa-2,4-dien-1-yloxypropan-1-amine
CID 124036630
2-[(Z)-hex-3-en-2-yl]oxyethanamine
CID 126759159
3-[(3E)-hexa-1,3-dien-3-yl]oxypropan-1-amine
CID 130283045
3-Cyclohexa-1,5-dien-1-yloxypropan-1-amine
CID 134526914
ethane;2-[(3E,5E)-4-ethenylhepta-1,3,5-trien-2-yl]oxyethanamine
CID 142390425

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine?
The IUPAC name of 3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine (CID 142914137) is 3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine.
What is the SMILES notation for 3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine?
The canonical SMILES for 3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine is CC/C=C\C=C/COCCCN.
What is the InChIKey of 3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine?
The InChIKey is OXXPUJAJDNCHBA-OUPQRBNQSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-5-6-9-12-10-7-8-11/h3-6H,2,7-11H2,1H3/b4-3-,6-5-.
What are the key properties of 3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine?
3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine is sourced from PubChem (CID 142914137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).