ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol

C13H28N2O — CID 144840241

IUPACethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
SMILESCC.CNCCN(C)/C(C)=C/C(C)=C(\C)O
InChIInChI=1S/C11H22N2O.C2H6/c1-9(11(3)14)8-10(2)13(5)7-6-12-4;1-2/h8,12,14H,6-7H2,1-5H3;1-2H3/b10-8+,11-9+;
InChIKeyHYMHFVQMETWHJE-HUISGVMCSA-N
MW228.38 g/mol
LogP2.92
Rot. Bonds5

About ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol

ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol (PubChem CID 144840241) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol.

Molecular Properties

Compound Nameethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
PubChem CID144840241
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
SMILESCC.CNCCN(C)/C(C)=C/C(C)=C(\C)O
InChIInChI=1S/C11H22N2O.C2H6/c1-9(11(3)14)8-10(2)13(5)7-6-12-4;1-2/h8,12,14H,6-7H2,1-5H3;1-2H3/b10-8+,11-9+;
InChIKeyHYMHFVQMETWHJE-HUISGVMCSA-N
XLogP2.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.92
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'}

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Related Compounds

3-[Methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol
CID 89224469
N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine
CID 89318104
Ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol
CID 142345182
1-[(1,5-dimethyl-2H-pyridin-3-yl)amino]-2-methylpropan-2-ol;ethane
CID 142345337
triethyl-[(Z,2Z)-2-(1-hydroxyethylidene)-4-(methylamino)pent-3-enyl]azanium
CID 146259255
(2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol
CID 168968812
2-Methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol
CID 142345183
1-[(1,5-dimethyl-2H-pyridin-3-yl)amino]-2-methylpropan-2-ol
CID 142345338
(3E,5E)-2-(dipropylamino)-5-[1-(ethylamino)ethenyl]hepta-1,3,5-trien-3-ol
CID 143279607
(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
CID 144840242
Cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol
CID 166065421

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol?
The IUPAC name of ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol (CID 144840241) is ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol.
What is the SMILES notation for ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol?
The canonical SMILES for ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol is CC.CNCCN(C)/C(C)=C/C(C)=C(\C)O.
What is the InChIKey of ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol?
The InChIKey is HYMHFVQMETWHJE-HUISGVMCSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-9(11(3)14)8-10(2)13(5)7-6-12-4;1-2/h8,12,14H,6-7H2,1-5H3;1-2H3/b10-8+,11-9+;.
What are the key properties of ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol?
ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol has a molecular weight of 228.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol is sourced from PubChem (CID 144840241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).