3-(3-aminopropyl)pent-2-ene-1,5-diol

C8H17NO2 — CID 90971273

IUPAC3-(3-aminopropyl)pent-2-ene-1,5-diol
SMILESNCCCC(=CCO)CCO
InChIInChI=1S/C8H17NO2/c9-5-1-2-8(3-6-10)4-7-11/h3,10-11H,1-2,4-7,9H2
InChIKeyYXGIGOCVTFFGGL-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.03
Rot. Bonds6

About 3-(3-aminopropyl)pent-2-ene-1,5-diol

3-(3-aminopropyl)pent-2-ene-1,5-diol (PubChem CID 90971273) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(3-aminopropyl)pent-2-ene-1,5-diol.

Molecular Properties

Compound Name3-(3-aminopropyl)pent-2-ene-1,5-diol
PubChem CID90971273
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(3-aminopropyl)pent-2-ene-1,5-diol
SMILESNCCCC(=CCO)CCO
InChIInChI=1S/C8H17NO2/c9-5-1-2-8(3-6-10)4-7-11/h3,10-11H,1-2,4-7,9H2
InChIKeyYXGIGOCVTFFGGL-UHFFFAOYSA-N
XLogP0.03
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-1-cycloocta-1,5-dienyl-ethanol
CID 44272142
2-Amino-1-cyclooct-1-enyl-ethanol
CID 44272154
2-Amino-1-(cycloocten-1-yl)ethanol
CID 54016638
(Z)-11-aminoundec-6-en-1-ol
CID 89036331
5-(Aminomethyl)non-4-ene-1,9-diol
CID 90875683
4-(Aminomethyl)hept-3-ene-1,7-diol
CID 91186810
3-(2-Aminoethyl)pent-2-ene-1,5-diol
CID 91612169
1-Amino-7-methyloct-6-en-1-ol
CID 141054235
2-amino-1-[(1E)-cyclodecen-1-yl]ethanol
CID 146330582
[4-(Aminomethyl)cyclohexa-1,3-dien-1-yl]methanol
CID 152808934
[(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol
CID 166967627
2-amino-1-[(1E)-cyclononen-1-yl]ethanol
CID 169944438

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)pent-2-ene-1,5-diol?
The IUPAC name of 3-(3-aminopropyl)pent-2-ene-1,5-diol (CID 90971273) is 3-(3-aminopropyl)pent-2-ene-1,5-diol.
What is the SMILES notation for 3-(3-aminopropyl)pent-2-ene-1,5-diol?
The canonical SMILES for 3-(3-aminopropyl)pent-2-ene-1,5-diol is NCCCC(=CCO)CCO.
What is the InChIKey of 3-(3-aminopropyl)pent-2-ene-1,5-diol?
The InChIKey is YXGIGOCVTFFGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c9-5-1-2-8(3-6-10)4-7-11/h3,10-11H,1-2,4-7,9H2.
What are the key properties of 3-(3-aminopropyl)pent-2-ene-1,5-diol?
3-(3-aminopropyl)pent-2-ene-1,5-diol has a molecular weight of 159.23 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)pent-2-ene-1,5-diol is sourced from PubChem (CID 90971273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).