2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine

C15H28N2O — CID 123738492

IUPAC2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine
SMILESC=C(C=CC(=C)N(C)CC(C)C)N(C)CCOC
InChIInChI=1S/C15H28N2O/c1-13(2)12-17(6)15(4)9-8-14(3)16(5)10-11-18-7/h8-9,13H,3-4,10-12H2,1-2,5-7H3
InChIKeyMNTGKSJTEKMAHP-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.74
Rot. Bonds9

About 2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine

2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine (PubChem CID 123738492) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine
PubChem CID123738492
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine
SMILESC=C(C=CC(=C)N(C)CC(C)C)N(C)CCOC
InChIInChI=1S/C15H28N2O/c1-13(2)12-17(6)15(4)9-8-14(3)16(5)10-11-18-7/h8-9,13H,3-4,10-12H2,1-2,5-7H3
InChIKeyMNTGKSJTEKMAHP-UHFFFAOYSA-N
XLogP2.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
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 2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine (CID 123738492) is 2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine is C=C(C=CC(=C)N(C)CC(C)C)N(C)CCOC.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine?
The InChIKey is MNTGKSJTEKMAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)12-17(6)15(4)9-8-14(3)16(5)10-11-18-7/h8-9,13H,3-4,10-12H2,1-2,5-7H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine?
2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine has a molecular weight of 252.40 g/mol, XLogP of 2.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine is sourced from PubChem (CID 123738492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).