2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol

C14H32N2O5 — CID 87752357

IUPAC2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol
SMILESCC(C)=CC(CO)N(CCO)CCO.OCCNCCO
InChIInChI=1S/C10H21NO3.C4H11NO2/c1-9(2)7-10(8-14)11(3-5-12)4-6-13;6-3-1-5-2-4-7/h7,10,12-14H,3-6,8H2,1-2H3;5-7H,1-4H2
InChIKeyRHEWLAVPZUEKBZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP-1.84
Rot. Bonds11

About 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol

2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol (PubChem CID 87752357) has the molecular formula C14H32N2O5 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol
PubChem CID87752357
Molecular FormulaC14H32N2O5
Molecular Weight308.42 g/mol
Exact Mass308.23
IUPAC Name2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol
SMILESCC(C)=CC(CO)N(CCO)CCO.OCCNCCO
InChIInChI=1S/C10H21NO3.C4H11NO2/c1-9(2)7-10(8-14)11(3-5-12)4-6-13;6-3-1-5-2-4-7/h7,10,12-14H,3-6,8H2,1-2H3;5-7H,1-4H2
InChIKeyRHEWLAVPZUEKBZ-UHFFFAOYSA-N
XLogP-1.84
TPSA116.42 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 5-1.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
CID 13492930
2-(3,7-Dimethylocta-2,6-dienylamino)propan-1-ol
CID 54199179
2-(2-Ethylpent-2-enylamino)propan-1-ol
CID 123886226
ethane;(Z)-2-(methylamino)hex-3-en-1-ol
CID 144566531
2-[Bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol
CID 87752358

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol (CID 87752357) is 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol is CC(C)=CC(CO)N(CCO)CCO.OCCNCCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol?
The InChIKey is RHEWLAVPZUEKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3.C4H11NO2/c1-9(2)7-10(8-14)11(3-5-12)4-6-13;6-3-1-5-2-4-7/h7,10,12-14H,3-6,8H2,1-2H3;5-7H,1-4H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol?
2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol has a molecular weight of 308.42 g/mol, XLogP of -1.84, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 87752357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).