4-(2-aminoethyl)nonadec-10-ene-2,3-diol

C21H43NO2 — CID 91291137

IUPAC4-(2-aminoethyl)nonadec-10-ene-2,3-diol
SMILESCCCCCCCCC=CCCCCCC(CCN)C(O)C(C)O
InChIInChI=1S/C21H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17-18-22)21(24)19(2)23/h10-11,19-21,23-24H,3-9,12-18,22H2,1-2H3
InChIKeyKFAKRMQMAGDYFC-UHFFFAOYSA-N
MW341.58 g/mol
LogP4.95
Rot. Bonds17

About 4-(2-aminoethyl)nonadec-10-ene-2,3-diol

4-(2-aminoethyl)nonadec-10-ene-2,3-diol (PubChem CID 91291137) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 4-(2-aminoethyl)nonadec-10-ene-2,3-diol.

Molecular Properties

Compound Name4-(2-aminoethyl)nonadec-10-ene-2,3-diol
PubChem CID91291137
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name4-(2-aminoethyl)nonadec-10-ene-2,3-diol
SMILESCCCCCCCCC=CCCCCCC(CCN)C(O)C(C)O
InChIInChI=1S/C21H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17-18-22)21(24)19(2)23/h10-11,19-21,23-24H,3-9,12-18,22H2,1-2H3
InChIKeyKFAKRMQMAGDYFC-UHFFFAOYSA-N
XLogP4.95
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(1s)-1-[(1s,6s)-6-(Aminomethyl)cyclohex-3-en-1-yl]ethane-1,2-diol
CID 129759718
(4R,5R,E)-1-amino-4-ethyl-8-methyldec-8-en-5-ol
CID 163319732
3-(17-Aminoheptadec-8-enyl)pentane-1,5-diol
CID 53431059
3-(Aminomethyl)nonadec-10-en-1-ol
CID 54391773
3-Amino-4-hexadec-7-enylhexane-1,6-diol
CID 57070237
3-[(Z)-17-aminoheptadec-8-enyl]pentane-1,5-diol
CID 86739701
(Z)-1-amino-2-[(Z)-octadec-9-enyl]icos-11-en-1-ol
CID 88006924
4-[(Z)-17-aminoheptadec-8-enyl]heptane-2,6-diol
CID 88116726
(Z)-3-(aminomethyl)nonadec-10-en-2-ol
CID 88627059
(Z)-3-(aminomethyl)nonadec-10-en-1-ol
CID 88627061
3-(aminomethyl)-5-[(Z)-tetradec-5-enyl]heptane-1,7-diol
CID 88816116
(E,5R,6R)-5-amino-4,4,6-trimethylhenicos-7-en-2-ol
CID 89044776

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)nonadec-10-ene-2,3-diol?
The IUPAC name of 4-(2-aminoethyl)nonadec-10-ene-2,3-diol (CID 91291137) is 4-(2-aminoethyl)nonadec-10-ene-2,3-diol.
What is the SMILES notation for 4-(2-aminoethyl)nonadec-10-ene-2,3-diol?
The canonical SMILES for 4-(2-aminoethyl)nonadec-10-ene-2,3-diol is CCCCCCCCC=CCCCCCC(CCN)C(O)C(C)O.
What is the InChIKey of 4-(2-aminoethyl)nonadec-10-ene-2,3-diol?
The InChIKey is KFAKRMQMAGDYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17-18-22)21(24)19(2)23/h10-11,19-21,23-24H,3-9,12-18,22H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)nonadec-10-ene-2,3-diol?
4-(2-aminoethyl)nonadec-10-ene-2,3-diol has a molecular weight of 341.58 g/mol, XLogP of 4.95, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)nonadec-10-ene-2,3-diol is sourced from PubChem (CID 91291137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).