2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol

C11H23NO — CID 79180297

IUPAC2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol
SMILESC=C(C)C(C)(O)CCNCC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)8-12-7-6-11(5,13)10(3)4/h9,12-13H,3,6-8H2,1-2,4-5H3
InChIKeyALVQZUCFEVITAD-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds6

About 2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol

2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol (PubChem CID 79180297) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol.

Molecular Properties

Compound Name2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol
PubChem CID79180297
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol
SMILESC=C(C)C(C)(O)CCNCC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)8-12-7-6-11(5,13)10(3)4/h9,12-13H,3,6-8H2,1-2,4-5H3
InChIKeyALVQZUCFEVITAD-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol?
The IUPAC name of 2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol (CID 79180297) is 2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol.
What is the SMILES notation for 2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol?
The canonical SMILES for 2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol is C=C(C)C(C)(O)CCNCC(C)C.
What is the InChIKey of 2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol?
The InChIKey is ALVQZUCFEVITAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)8-12-7-6-11(5,13)10(3)4/h9,12-13H,3,6-8H2,1-2,4-5H3.
What are the key properties of 2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol?
2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol is sourced from PubChem (CID 79180297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).