(3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine

C11H17NO — CID 139495803

IUPAC(3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine
SMILESC=C/C=C\C(OC(C)C)=C(\N)C=C
InChIInChI=1S/C11H17NO/c1-5-7-8-11(10(12)6-2)13-9(3)4/h5-9H,1-2,12H2,3-4H3/b8-7-,11-10-
InChIKeyUUIUYJCEFFBZOI-NQLNTKRDSA-N
MW179.26 g/mol
LogP2.51
Rot. Bonds5

About (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine

(3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine (PubChem CID 139495803) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine
PubChem CID139495803
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine
SMILESC=C/C=C\C(OC(C)C)=C(\N)C=C
InChIInChI=1S/C11H17NO/c1-5-7-8-11(10(12)6-2)13-9(3)4/h5-9H,1-2,12H2,3-4H3/b8-7-,11-10-
InChIKeyUUIUYJCEFFBZOI-NQLNTKRDSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(3E)-5-ethoxy-4-fluorohexa-1,3,5-trien-2-amine
CID 142348734
(3E)-4-ethoxy-5-fluorohexa-1,3,5-trien-2-amine
CID 156714137
(3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine
CID 166943959
(3E)-5-methoxy-6-methylhepta-1,3,5-trien-3-amine
CID 88235023
(2E,4Z)-6-(2-methoxyethoxy)hepta-2,4,6-trien-3-amine
CID 88235978
(2Z,4Z)-6-(3-methoxypropoxy)hepta-2,4,6-trien-2-amine
CID 88274416
(3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine
CID 89074125
(2Z,4Z)-6-butan-2-yloxyhepta-2,4,6-trien-1-amine
CID 89319215
(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-amine
CID 117686505
(3E,5E)-5-methoxyhepta-1,3,5-trien-3-amine
CID 118085791
(2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine
CID 129115465
(3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine
CID 129132468

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine (CID 139495803) is (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine is C=C/C=C\C(OC(C)C)=C(\N)C=C.
What is the InChIKey of (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine?
The InChIKey is UUIUYJCEFFBZOI-NQLNTKRDSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-7-8-11(10(12)6-2)13-9(3)4/h5-9H,1-2,12H2,3-4H3/b8-7-,11-10-.
What are the key properties of (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine?
(3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine has a molecular weight of 179.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 139495803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).