5-(methylamino)hex-3-en-2-ol

C7H15NO — CID 123264713

IUPAC5-(methylamino)hex-3-en-2-ol
SMILESCNC(C)C=CC(C)O
InChIInChI=1S/C7H15NO/c1-6(8-3)4-5-7(2)9/h4-9H,1-3H3
InChIKeyTWDMYTQHNKUURN-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.53
Rot. Bonds3

About 5-(methylamino)hex-3-en-2-ol

5-(methylamino)hex-3-en-2-ol (PubChem CID 123264713) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 5-(methylamino)hex-3-en-2-ol.

Molecular Properties

Compound Name5-(methylamino)hex-3-en-2-ol
PubChem CID123264713
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name5-(methylamino)hex-3-en-2-ol
SMILESCNC(C)C=CC(C)O
InChIInChI=1S/C7H15NO/c1-6(8-3)4-5-7(2)9/h4-9H,1-3H3
InChIKeyTWDMYTQHNKUURN-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol
CID 10997149
(E)-1-Amino-3-penten-2-ol
CID 13123254
(E,2R)-1-aminopent-3-en-2-ol
CID 640994
(E,2R)-1-(methylamino)pent-3-en-2-ol
CID 10080375
(2E)-4-aminohexa-2,5-dien-1-ol
CID 13623615
(E)-1-(methylamino)pent-3-en-2-ol
CID 15635079
(E)-4-aminopent-2-en-1-ol
CID 22024754
(2R)-1-(methylamino)pent-3-en-2-ol
CID 53915914
(2R)-1-(propan-2-ylamino)pent-3-en-2-ol
CID 54097564
4-Aminocyclohexa-2,5-dien-1-ol
CID 55288745
(Z,2S,5R)-5-aminohex-3-en-2-ol
CID 55288991
3-(Aziridin-2-yl)prop-2-en-1-ol
CID 57054055

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)hex-3-en-2-ol?
The IUPAC name of 5-(methylamino)hex-3-en-2-ol (CID 123264713) is 5-(methylamino)hex-3-en-2-ol.
What is the SMILES notation for 5-(methylamino)hex-3-en-2-ol?
The canonical SMILES for 5-(methylamino)hex-3-en-2-ol is CNC(C)C=CC(C)O.
What is the InChIKey of 5-(methylamino)hex-3-en-2-ol?
The InChIKey is TWDMYTQHNKUURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(8-3)4-5-7(2)9/h4-9H,1-3H3.
What are the key properties of 5-(methylamino)hex-3-en-2-ol?
5-(methylamino)hex-3-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)hex-3-en-2-ol is sourced from PubChem (CID 123264713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).