1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine

C10H17NO — CID 143097683

IUPAC1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine
SMILESC=C/C=C\C(=C)COCC(C)N
InChIInChI=1S/C10H17NO/c1-4-5-6-9(2)7-12-8-10(3)11/h4-6,10H,1-2,7-8,11H2,3H3/b6-5-
InChIKeySJJANHGKSJFQRK-WAYWQWQTSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds6

About 1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine

1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine (PubChem CID 143097683) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine.

Molecular Properties

Compound Name1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine
PubChem CID143097683
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine
SMILESC=C/C=C\C(=C)COCC(C)N
InChIInChI=1S/C10H17NO/c1-4-5-6-9(2)7-12-8-10(3)11/h4-6,10H,1-2,7-8,11H2,3H3/b6-5-
InChIKeySJJANHGKSJFQRK-WAYWQWQTSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,6-Dimethylphenoxy)-2-aminopropane
CID 129724544
4-(Methoxymethyl)cyclohexa-2,4-dien-1-amine
CID 89594166
(2R,3E)-3-[(Z)-3-methoxyprop-1-enyl]hexa-3,5-dien-2-amine
CID 90084775
1-Methoxy-3-(2-methylidenebut-3-enoxy)propan-2-amine
CID 91602983
1-(2,4-Dimethylhexa-2,4-dien-3-yloxy)propan-2-amine
CID 91614440
6-Methoxy-3-methylcyclohexa-2,4-dien-1-amine
CID 123874139
1-[(2E)-2-ethenylpenta-2,4-dienoxy]propan-2-amine
CID 141848142
ethene;1-[(Z)-2-methylidenepent-3-enoxy]-N-propylbutan-2-amine;molecular hydrogen
CID 142079041
(Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine
CID 142144487
2-amino-3-[(2E)-2-ethenylpenta-2,4-dienoxy]propanenitrile;propane
CID 142227852
2-amino-3-[(2E)-2-prop-1-en-2-ylpenta-2,4-dienoxy]propanenitrile;ethane
CID 142227873
ethane;2-[(2E,4E,6E)-5-ethenylocta-2,4,6-trien-3-yl]oxyethanamine
CID 142390039

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine?
The IUPAC name of 1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine (CID 143097683) is 1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine.
What is the SMILES notation for 1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine?
The canonical SMILES for 1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine is C=C/C=C\C(=C)COCC(C)N.
What is the InChIKey of 1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine?
The InChIKey is SJJANHGKSJFQRK-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-9(2)7-12-8-10(3)11/h4-6,10H,1-2,7-8,11H2,3H3/b6-5-.
What are the key properties of 1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine?
1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine has a molecular weight of 167.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-2-methylidenehexa-3,5-dienoxy]propan-2-amine is sourced from PubChem (CID 143097683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).