4-(methylamino)pent-1-en-2-ol

C6H13NO — CID 152937523

IUPAC4-(methylamino)pent-1-en-2-ol
SMILESC=C(O)CC(C)NC
InChIInChI=1S/C6H13NO/c1-5(7-3)4-6(2)8/h5,7-8H,2,4H2,1,3H3
InChIKeyUMDSZBICSUMVFO-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.06
Rot. Bonds3

About 4-(methylamino)pent-1-en-2-ol

4-(methylamino)pent-1-en-2-ol (PubChem CID 152937523) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-(methylamino)pent-1-en-2-ol.

Molecular Properties

Compound Name4-(methylamino)pent-1-en-2-ol
PubChem CID152937523
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-(methylamino)pent-1-en-2-ol
SMILESC=C(O)CC(C)NC
InChIInChI=1S/C6H13NO/c1-5(7-3)4-6(2)8/h5,7-8H,2,4H2,1,3H3
InChIKeyUMDSZBICSUMVFO-UHFFFAOYSA-N
XLogP1.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)pent-1-en-2-ol?
The IUPAC name of 4-(methylamino)pent-1-en-2-ol (CID 152937523) is 4-(methylamino)pent-1-en-2-ol.
What is the SMILES notation for 4-(methylamino)pent-1-en-2-ol?
The canonical SMILES for 4-(methylamino)pent-1-en-2-ol is C=C(O)CC(C)NC.
What is the InChIKey of 4-(methylamino)pent-1-en-2-ol?
The InChIKey is UMDSZBICSUMVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(7-3)4-6(2)8/h5,7-8H,2,4H2,1,3H3.
What are the key properties of 4-(methylamino)pent-1-en-2-ol?
4-(methylamino)pent-1-en-2-ol has a molecular weight of 115.18 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)pent-1-en-2-ol is sourced from PubChem (CID 152937523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).