(1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol

C8H16N2O — CID 155372664

IUPAC(1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol
SMILESCNCC(C)/C=C\C=C(/N)O
InChIInChI=1S/C8H16N2O/c1-7(6-10-2)4-3-5-8(9)11/h3-5,7,10-11H,6,9H2,1-2H3/b4-3-,8-5+
InChIKeySQFVARRFNVDNOZ-HMRFFJRGSA-N
MW156.23 g/mol
LogP0.76
Rot. Bonds4

About (1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol

(1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol (PubChem CID 155372664) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol
PubChem CID155372664
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol
SMILESCNCC(C)/C=C\C=C(/N)O
InChIInChI=1S/C8H16N2O/c1-7(6-10-2)4-3-5-8(9)11/h3-5,7,10-11H,6,9H2,1-2H3/b4-3-,8-5+
InChIKeySQFVARRFNVDNOZ-HMRFFJRGSA-N
XLogP0.76
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol?
The IUPAC name of (1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol (CID 155372664) is (1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol.
What is the SMILES notation for (1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol?
The canonical SMILES for (1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol is CNCC(C)/C=C\C=C(/N)O.
What is the InChIKey of (1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol?
The InChIKey is SQFVARRFNVDNOZ-HMRFFJRGSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(6-10-2)4-3-5-8(9)11/h3-5,7,10-11H,6,9H2,1-2H3/b4-3-,8-5+.
What are the key properties of (1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol?
(1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol is sourced from PubChem (CID 155372664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).