(3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine

C14H19NO — CID 138699547

IUPAC(3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine
SMILESC=C/C=C(\C=C/C)OC(/C=C\C)=C(\N)C=C
InChIInChI=1S/C14H19NO/c1-5-9-12(10-6-2)16-14(11-7-3)13(15)8-4/h5-11H,1,4,15H2,2-3H3/b10-6-,11-7-,12-9+,14-13-
InChIKeyFZPUIAOSMLXBIK-WSPOXNMESA-N
MW217.31 g/mol
LogP3.58
Rot. Bonds6

About (3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine

(3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine (PubChem CID 138699547) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine
PubChem CID138699547
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine
SMILESC=C/C=C(\C=C/C)OC(/C=C\C)=C(\N)C=C
InChIInChI=1S/C14H19NO/c1-5-9-12(10-6-2)16-14(11-7-3)13(15)8-4/h5-11H,1,4,15H2,2-3H3/b10-6-,11-7-,12-9+,14-13-
InChIKeyFZPUIAOSMLXBIK-WSPOXNMESA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.58
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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine with MolForge

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Related Compounds

(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
CID 145179777
(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
(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-amine
CID 117686505
(3E,5E)-5-methoxyhepta-1,3,5-trien-3-amine
CID 118085791
(3Z)-5-methoxyhexa-1,3,5-trien-2-amine
CID 129065249
(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
(2Z,4Z)-6-propan-2-yloxyhepta-2,4,6-trien-2-amine
CID 130225156
(2E,4E)-5-(2-methylpropoxy)hepta-2,4,6-trien-2-amine
CID 132198998
(2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine
CID 134174760

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine (CID 138699547) is (3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine is C=C/C=C(\C=C/C)OC(/C=C\C)=C(\N)C=C.
What is the InChIKey of (3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine?
The InChIKey is FZPUIAOSMLXBIK-WSPOXNMESA-N. The full InChI is InChI=1S/C14H19NO/c1-5-9-12(10-6-2)16-14(11-7-3)13(15)8-4/h5-11H,1,4,15H2,2-3H3/b10-6-,11-7-,12-9+,14-13-.
What are the key properties of (3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine?
(3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine has a molecular weight of 217.31 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 138699547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).