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

C6H13NO — CID 74018121

IUPAC2-(methylamino)pent-1-en-1-ol
SMILESCCCC(=CO)NC
InChIInChI=1S/C6H13NO/c1-3-4-6(5-8)7-2/h5,7-8H,3-4H2,1-2H3
InChIKeyVJSJLLATYDWCOU-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.41
Rot. Bonds3

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

2-(methylamino)pent-1-en-1-ol (PubChem CID 74018121) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(methylamino)pent-1-en-1-ol.

Molecular Properties

Compound Name2-(methylamino)pent-1-en-1-ol
PubChem CID74018121
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(methylamino)pent-1-en-1-ol
SMILESCCCC(=CO)NC
InChIInChI=1S/C6H13NO/c1-3-4-6(5-8)7-2/h5,7-8H,3-4H2,1-2H3
InChIKeyVJSJLLATYDWCOU-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
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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Related Compounds

(Z)-2-(methylamino)pent-1-en-1-ol
CID 23117545
(Z)-pyrrolidin-2-ylidenemethanol
CID 55300390
(Z)-2-(methylamino)prop-1-en-1-ol
CID 59658573
2-(Methylamino)prop-1-en-1-ol
CID 72349705
Pyrrolidin-2-ylidenemethanol
CID 76225523
(But-1-en-2-ylamino)methanol
CID 118475638
(E)-2-(ethylamino)but-1-en-1-ol
CID 126737351
(Z)-4-amino-2-(methylamino)but-1-en-1-ol
CID 144223551
(Z)-4-hydroxy-3-(methylamino)but-3-enenitrile
CID 144223584
ethane;(Z)-2-(methylamino)but-1-en-1-ol
CID 144223632
(Z)-2-(methylamino)but-1-en-1-ol
CID 144223633
(1Z,5Z)-2-(methylamino)hepta-1,5-dien-1-ol
CID 144352970

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)pent-1-en-1-ol?
The IUPAC name of 2-(methylamino)pent-1-en-1-ol (CID 74018121) is 2-(methylamino)pent-1-en-1-ol.
What is the SMILES notation for 2-(methylamino)pent-1-en-1-ol?
The canonical SMILES for 2-(methylamino)pent-1-en-1-ol is CCCC(=CO)NC.
What is the InChIKey of 2-(methylamino)pent-1-en-1-ol?
The InChIKey is VJSJLLATYDWCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-6(5-8)7-2/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 2-(methylamino)pent-1-en-1-ol?
2-(methylamino)pent-1-en-1-ol has a molecular weight of 115.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)pent-1-en-1-ol is sourced from PubChem (CID 74018121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).