3-[di(propan-2-yl)amino]pent-4-en-2-ol

C11H23NO — CID 22975490

IUPAC3-[di(propan-2-yl)amino]pent-4-en-2-ol
SMILESC=CC(C(C)O)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NO/c1-7-11(10(6)13)12(8(2)3)9(4)5/h7-11,13H,1H2,2-6H3
InChIKeyLWMQUKKREIHUNU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.04
Rot. Bonds5

About 3-[di(propan-2-yl)amino]pent-4-en-2-ol

3-[di(propan-2-yl)amino]pent-4-en-2-ol (PubChem CID 22975490) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]pent-4-en-2-ol.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]pent-4-en-2-ol
PubChem CID22975490
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[di(propan-2-yl)amino]pent-4-en-2-ol
SMILESC=CC(C(C)O)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NO/c1-7-11(10(6)13)12(8(2)3)9(4)5/h7-11,13H,1H2,2-6H3
InChIKeyLWMQUKKREIHUNU-UHFFFAOYSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[di(propan-2-yl)amino]pent-4-en-2-ol?
The IUPAC name of 3-[di(propan-2-yl)amino]pent-4-en-2-ol (CID 22975490) is 3-[di(propan-2-yl)amino]pent-4-en-2-ol.
What is the SMILES notation for 3-[di(propan-2-yl)amino]pent-4-en-2-ol?
The canonical SMILES for 3-[di(propan-2-yl)amino]pent-4-en-2-ol is C=CC(C(C)O)N(C(C)C)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)amino]pent-4-en-2-ol?
The InChIKey is LWMQUKKREIHUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7-11(10(6)13)12(8(2)3)9(4)5/h7-11,13H,1H2,2-6H3.
What are the key properties of 3-[di(propan-2-yl)amino]pent-4-en-2-ol?
3-[di(propan-2-yl)amino]pent-4-en-2-ol has a molecular weight of 185.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]pent-4-en-2-ol is sourced from PubChem (CID 22975490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).