(3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine

C12H16N2O — CID 145488217

IUPAC(3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OC(=C)/C=C\C(=C)N
InChIInChI=1S/C12H16N2O/c1-9(13)5-7-11(3)15-12(4)8-6-10(2)14/h5-8H,1-4,13-14H2/b7-5-,8-6-
InChIKeyPBWUGVGYLMRJCM-SFECMWDFSA-N
MW204.27 g/mol
LogP2.09
Rot. Bonds6

About (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine

(3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine (PubChem CID 145488217) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine
PubChem CID145488217
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OC(=C)/C=C\C(=C)N
InChIInChI=1S/C12H16N2O/c1-9(13)5-7-11(3)15-12(4)8-6-10(2)14/h5-8H,1-4,13-14H2/b7-5-,8-6-
InChIKeyPBWUGVGYLMRJCM-SFECMWDFSA-N
XLogP2.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine with MolForge

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Related Compounds

(3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine
CID 143764486
(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
(3Z)-5-(3-aminopropoxy)hexa-1,3,5-trien-3-amine
CID 89001435
(3E,5E)-5-methoxyhepta-1,3,5-trien-3-amine
CID 118085791
(3Z)-5-methoxyhexa-1,3,5-trien-2-amine
CID 129065249
(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,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine
CID 134174760
(2E,4Z)-6-methoxyhepta-2,4,6-trien-3-amine
CID 138484838
(3Z,5Z)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyhepta-1,3,5-trien-3-amine
CID 138699547
(3Z,5Z)-4-propan-2-yloxyocta-1,3,5,7-tetraen-3-amine
CID 139495803

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine (CID 145488217) is (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)OC(=C)/C=C\C(=C)N.
What is the InChIKey of (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine?
The InChIKey is PBWUGVGYLMRJCM-SFECMWDFSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(13)5-7-11(3)15-12(4)8-6-10(2)14/h5-8H,1-4,13-14H2/b7-5-,8-6-.
What are the key properties of (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine?
(3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine has a molecular weight of 204.27 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 145488217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).