6-(pent-4-en-2-ylamino)hexan-1-ol

C11H23NO — CID 107703620

IUPAC6-(pent-4-en-2-ylamino)hexan-1-ol
SMILESC=CCC(C)NCCCCCCO
InChIInChI=1S/C11H23NO/c1-3-8-11(2)12-9-6-4-5-7-10-13/h3,11-13H,1,4-10H2,2H3
InChIKeyLERDGNNWYXLFOY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.09
Rot. Bonds9

About 6-(pent-4-en-2-ylamino)hexan-1-ol

6-(pent-4-en-2-ylamino)hexan-1-ol (PubChem CID 107703620) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-(pent-4-en-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(pent-4-en-2-ylamino)hexan-1-ol
PubChem CID107703620
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-(pent-4-en-2-ylamino)hexan-1-ol
SMILESC=CCC(C)NCCCCCCO
InChIInChI=1S/C11H23NO/c1-3-8-11(2)12-9-6-4-5-7-10-13/h3,11-13H,1,4-10H2,2H3
InChIKeyLERDGNNWYXLFOY-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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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Related Compounds

(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
6-[[(Z)-5-fluorohex-4-enyl]amino]hexan-1-ol
CID 143707503
trans-6-Allyl-2-(3-hydroxypropyl)-1,2,3,6-tetrahydropyridine
CID 21606423
2-(Undec-1-en-6-ylamino)ethanol
CID 24812845
trans-6-Hexyl-2-(3-hydroxypropyl)-1,2,3,6-tetrahydro-pyridine hydrochloride
CID 129815081
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
cis-2-Allylpyrrolidin-5-ol
CID 559551
3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol
CID 10900303
3-(Oct-7-enylamino)propan-1-ol
CID 15457837
6-(But-3-en-2-ylamino)hexan-1-ol
CID 20337013
6-Hydroxyhexyl-bis(prop-2-enyl)azanium
CID 58700851
6-(Prop-2-enylamino)hexan-1-ol
CID 87378184

Frequently Asked Questions

What is the IUPAC name of 6-(pent-4-en-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(pent-4-en-2-ylamino)hexan-1-ol (CID 107703620) is 6-(pent-4-en-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(pent-4-en-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(pent-4-en-2-ylamino)hexan-1-ol is C=CCC(C)NCCCCCCO.
What is the InChIKey of 6-(pent-4-en-2-ylamino)hexan-1-ol?
The InChIKey is LERDGNNWYXLFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-8-11(2)12-9-6-4-5-7-10-13/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 6-(pent-4-en-2-ylamino)hexan-1-ol?
6-(pent-4-en-2-ylamino)hexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pent-4-en-2-ylamino)hexan-1-ol is sourced from PubChem (CID 107703620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).