5-(hex-1-en-2-ylamino)pentan-1-ol

C11H23NO — CID 143742239

IUPAC5-(hex-1-en-2-ylamino)pentan-1-ol
SMILESC=C(CCCC)NCCCCCO
InChIInChI=1S/C11H23NO/c1-3-4-8-11(2)12-9-6-5-7-10-13/h12-13H,2-10H2,1H3
InChIKeyMMCNYEJFWQRYDP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.44
Rot. Bonds9

About 5-(hex-1-en-2-ylamino)pentan-1-ol

5-(hex-1-en-2-ylamino)pentan-1-ol (PubChem CID 143742239) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-(hex-1-en-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(hex-1-en-2-ylamino)pentan-1-ol
PubChem CID143742239
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-(hex-1-en-2-ylamino)pentan-1-ol
SMILESC=C(CCCC)NCCCCCO
InChIInChI=1S/C11H23NO/c1-3-4-8-11(2)12-9-6-5-7-10-13/h12-13H,2-10H2,1H3
InChIKeyMMCNYEJFWQRYDP-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(hex-1-en-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(hex-1-en-2-ylamino)pentan-1-ol (CID 143742239) is 5-(hex-1-en-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(hex-1-en-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(hex-1-en-2-ylamino)pentan-1-ol is C=C(CCCC)NCCCCCO.
What is the InChIKey of 5-(hex-1-en-2-ylamino)pentan-1-ol?
The InChIKey is MMCNYEJFWQRYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-8-11(2)12-9-6-5-7-10-13/h12-13H,2-10H2,1H3.
What are the key properties of 5-(hex-1-en-2-ylamino)pentan-1-ol?
5-(hex-1-en-2-ylamino)pentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hex-1-en-2-ylamino)pentan-1-ol is sourced from PubChem (CID 143742239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).