(3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine

C9H15NO — CID 129132468

IUPAC(3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OC(C)C
InChIInChI=1S/C9H15NO/c1-7(2)11-9(4)6-5-8(3)10/h5-7H,3-4,10H2,1-2H3/b6-5-
InChIKeyMXOUOFBJFXFJSR-WAYWQWQTSA-N
MW153.22 g/mol
LogP1.95
Rot. Bonds4

About (3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine

(3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine (PubChem CID 129132468) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine
PubChem CID129132468
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OC(C)C
InChIInChI=1S/C9H15NO/c1-7(2)11-9(4)6-5-8(3)10/h5-7H,3-4,10H2,1-2H3/b6-5-
InChIKeyMXOUOFBJFXFJSR-WAYWQWQTSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.95
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'}

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Related Compounds

(2E,4E)-5-fluoro-6-methoxyhepta-2,4,6-trien-3-amine
CID 89074120
(3E)-5-ethoxy-4-fluorohexa-1,3,5-trien-2-amine
CID 142348734
(3E)-5-ethoxy-3-fluorohexa-1,3,5-trien-2-amine
CID 143431970
(3E)-4-ethoxy-5-fluorohexa-1,3,5-trien-2-amine
CID 156714137
(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
(2E)-4-methoxypenta-2,4-dien-2-amine
CID 88529526
(3E,5Z)-7-methoxyhepta-1,3,5-trien-3-amine
CID 88925864
(3E,5Z)-4-cyclopentyloxyhepta-1,3,5-trien-2-amine
CID 89074125
(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-amine
CID 117686505
(3E,5E)-5-methoxyhepta-1,3,5-trien-3-amine
CID 118085791

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine (CID 129132468) is (3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)OC(C)C.
What is the InChIKey of (3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine?
The InChIKey is MXOUOFBJFXFJSR-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)11-9(4)6-5-8(3)10/h5-7H,3-4,10H2,1-2H3/b6-5-.
What are the key properties of (3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine?
(3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine has a molecular weight of 153.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-propan-2-yloxyhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 129132468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).