3-[(pent-2-enylamino)methyl]pentan-2-ol

C11H23NO — CID 123947340

IUPAC3-[(pent-2-enylamino)methyl]pentan-2-ol
SMILESCCC=CCNCC(CC)C(C)O
InChIInChI=1S/C11H23NO/c1-4-6-7-8-12-9-11(5-2)10(3)13/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyFDTVPQMOMSJDSZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds7

About 3-[(pent-2-enylamino)methyl]pentan-2-ol

3-[(pent-2-enylamino)methyl]pentan-2-ol (PubChem CID 123947340) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[(pent-2-enylamino)methyl]pentan-2-ol.

Molecular Properties

Compound Name3-[(pent-2-enylamino)methyl]pentan-2-ol
PubChem CID123947340
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[(pent-2-enylamino)methyl]pentan-2-ol
SMILESCCC=CCNCC(CC)C(C)O
InChIInChI=1S/C11H23NO/c1-4-6-7-8-12-9-11(5-2)10(3)13/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyFDTVPQMOMSJDSZ-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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 3-[(pent-2-enylamino)methyl]pentan-2-ol?
The IUPAC name of 3-[(pent-2-enylamino)methyl]pentan-2-ol (CID 123947340) is 3-[(pent-2-enylamino)methyl]pentan-2-ol.
What is the SMILES notation for 3-[(pent-2-enylamino)methyl]pentan-2-ol?
The canonical SMILES for 3-[(pent-2-enylamino)methyl]pentan-2-ol is CCC=CCNCC(CC)C(C)O.
What is the InChIKey of 3-[(pent-2-enylamino)methyl]pentan-2-ol?
The InChIKey is FDTVPQMOMSJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-7-8-12-9-11(5-2)10(3)13/h6-7,10-13H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[(pent-2-enylamino)methyl]pentan-2-ol?
3-[(pent-2-enylamino)methyl]pentan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pent-2-enylamino)methyl]pentan-2-ol is sourced from PubChem (CID 123947340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).