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

C10H21NO3 — CID 87752358

IUPAC2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol
SMILESCC(C)=CC(CO)N(CCO)CCO
InChIInChI=1S/C10H21NO3/c1-9(2)7-10(8-14)11(3-5-12)4-6-13/h7,10,12-14H,3-6,8H2,1-2H3
InChIKeyCVQOUONCRKBVHR-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.40
Rot. Bonds7

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

2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol (PubChem CID 87752358) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol
PubChem CID87752358
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol
SMILESCC(C)=CC(CO)N(CCO)CCO
InChIInChI=1S/C10H21NO3/c1-9(2)7-10(8-14)11(3-5-12)4-6-13/h7,10,12-14H,3-6,8H2,1-2H3
InChIKeyCVQOUONCRKBVHR-UHFFFAOYSA-N
XLogP-0.40
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol (CID 87752358) is 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol is CC(C)=CC(CO)N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol?
The InChIKey is CVQOUONCRKBVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2)7-10(8-14)11(3-5-12)4-6-13/h7,10,12-14H,3-6,8H2,1-2H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol?
2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol has a molecular weight of 203.28 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-4-methylpent-3-en-1-ol is sourced from PubChem (CID 87752358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).