3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol

C13H23NO2 — CID 115896395

IUPAC3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol
SMILESC=CCCC(NCC1(O)CCOC1)C1CC1
InChIInChI=1S/C13H23NO2/c1-2-3-4-12(11-5-6-11)14-9-13(15)7-8-16-10-13/h2,11-12,14-15H,1,3-10H2
InChIKeyDGPOQIQRDSTPRR-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.47
Rot. Bonds7

About 3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol

3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol (PubChem CID 115896395) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol
PubChem CID115896395
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol
SMILESC=CCCC(NCC1(O)CCOC1)C1CC1
InChIInChI=1S/C13H23NO2/c1-2-3-4-12(11-5-6-11)14-9-13(15)7-8-16-10-13/h2,11-12,14-15H,1,3-10H2
InChIKeyDGPOQIQRDSTPRR-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
CID 115751327
3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
CID 115894959
3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101542
1-(1-cyclopropylpent-4-enylamino)pentan-3-ol
CID 115751518
3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol
CID 106099920
3-[(heptan-2-ylamino)methyl]oxolan-3-ol
CID 115896429
N-[(3-hydroxyoxolan-3-yl)methyl]oxane-4-sulfonamide
CID 103848200
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
2-[(3-hydroxyoxolan-3-yl)methylamino]-N,N-dimethylpropanamide
CID 106100495
1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
CID 104582555
2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101531
3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol
CID 104532084

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol (CID 115896395) is 3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol is C=CCCC(NCC1(O)CCOC1)C1CC1.
What is the InChIKey of 3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol?
The InChIKey is DGPOQIQRDSTPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-4-12(11-5-6-11)14-9-13(15)7-8-16-10-13/h2,11-12,14-15H,1,3-10H2.
What are the key properties of 3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol?
3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol has a molecular weight of 225.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 115896395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).