2-(dimethylamino)pent-1-en-3-ol

C7H15NO — CID 23564115

IUPAC2-(dimethylamino)pent-1-en-3-ol
SMILESC=C(C(O)CC)N(C)C
InChIInChI=1S/C7H15NO/c1-5-7(9)6(2)8(3)4/h7,9H,2,5H2,1,3-4H3
InChIKeyIPKFNFIJJSFCLJ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.83
Rot. Bonds3

About 2-(dimethylamino)pent-1-en-3-ol

2-(dimethylamino)pent-1-en-3-ol (PubChem CID 23564115) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(dimethylamino)pent-1-en-3-ol.

Molecular Properties

Compound Name2-(dimethylamino)pent-1-en-3-ol
PubChem CID23564115
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(dimethylamino)pent-1-en-3-ol
SMILESC=C(C(O)CC)N(C)C
InChIInChI=1S/C7H15NO/c1-5-7(9)6(2)8(3)4/h7,9H,2,5H2,1,3-4H3
InChIKeyIPKFNFIJJSFCLJ-UHFFFAOYSA-N
XLogP0.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)pent-1-en-3-ol?
The IUPAC name of 2-(dimethylamino)pent-1-en-3-ol (CID 23564115) is 2-(dimethylamino)pent-1-en-3-ol.
What is the SMILES notation for 2-(dimethylamino)pent-1-en-3-ol?
The canonical SMILES for 2-(dimethylamino)pent-1-en-3-ol is C=C(C(O)CC)N(C)C.
What is the InChIKey of 2-(dimethylamino)pent-1-en-3-ol?
The InChIKey is IPKFNFIJJSFCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-7(9)6(2)8(3)4/h7,9H,2,5H2,1,3-4H3.
What are the key properties of 2-(dimethylamino)pent-1-en-3-ol?
2-(dimethylamino)pent-1-en-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)pent-1-en-3-ol is sourced from PubChem (CID 23564115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).