(3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine

C11H20N2O — CID 145175630

IUPAC(3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine
SMILESC=C(/C=C\C(=C)N(C)CCOC)NC
InChIInChI=1S/C11H20N2O/c1-10(12-3)6-7-11(2)13(4)8-9-14-5/h6-7,12H,1-2,8-9H2,3-5H3/b7-6-
InChIKeyRGCLRUCMMVQFSO-SREVYHEPSA-N
MW196.29 g/mol
LogP1.37
Rot. Bonds7

About (3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine

(3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine (PubChem CID 145175630) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine.

Molecular Properties

Compound Name(3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine
PubChem CID145175630
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine
SMILESC=C(/C=C\C(=C)N(C)CCOC)NC
InChIInChI=1S/C11H20N2O/c1-10(12-3)6-7-11(2)13(4)8-9-14-5/h6-7,12H,1-2,8-9H2,3-5H3/b7-6-
InChIKeyRGCLRUCMMVQFSO-SREVYHEPSA-N
XLogP1.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine?
The IUPAC name of (3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine (CID 145175630) is (3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine.
What is the SMILES notation for (3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine?
The canonical SMILES for (3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine is C=C(/C=C\C(=C)N(C)CCOC)NC.
What is the InChIKey of (3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine?
The InChIKey is RGCLRUCMMVQFSO-SREVYHEPSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(12-3)6-7-11(2)13(4)8-9-14-5/h6-7,12H,1-2,8-9H2,3-5H3/b7-6-.
What are the key properties of (3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine?
(3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine is sourced from PubChem (CID 145175630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).