1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol

C17H35NO4 — CID 101343818

IUPAC1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol
SMILESC=CCCCCCCCCCN(C(O)C(C)O)C(O)C(C)O
InChIInChI=1S/C17H35NO4/c1-4-5-6-7-8-9-10-11-12-13-18(16(21)14(2)19)17(22)15(3)20/h4,14-17,19-22H,1,5-13H2,2-3H3
InChIKeyLSZLDJOUXHPMPO-UHFFFAOYSA-N
MW317.47 g/mol
LogP1.99
Rot. Bonds14

About 1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol

1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol (PubChem CID 101343818) has the molecular formula C17H35NO4 and a molecular weight of 317.47 g/mol. Its IUPAC name is 1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol
PubChem CID101343818
Molecular FormulaC17H35NO4
Molecular Weight317.47 g/mol
Exact Mass317.26
IUPAC Name1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol
SMILESC=CCCCCCCCCCN(C(O)C(C)O)C(O)C(C)O
InChIInChI=1S/C17H35NO4/c1-4-5-6-7-8-9-10-11-12-13-18(16(21)14(2)19)17(22)15(3)20/h4,14-17,19-22H,1,5-13H2,2-3H3
InChIKeyLSZLDJOUXHPMPO-UHFFFAOYSA-N
XLogP1.99
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 107008756
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2-[hept-6-enyl(methyl)amino]propan-1-ol
CID 107010121
N-iodo-N-methyloct-7-en-1-amine
CID 170105765
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
sodium 2-[bis(oct-7-enyl)amino]propanoate
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25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
N-propan-2-yl-N-propylhex-5-en-1-amine
CID 174192838
7-propan-2-ylsulfanylhept-1-ene
CID 23466756
N,N-dibutylhept-6-en-1-amine
CID 126749828

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol?
The IUPAC name of 1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol (CID 101343818) is 1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol.
What is the SMILES notation for 1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol?
The canonical SMILES for 1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol is C=CCCCCCCCCCN(C(O)C(C)O)C(O)C(C)O.
What is the InChIKey of 1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol?
The InChIKey is LSZLDJOUXHPMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO4/c1-4-5-6-7-8-9-10-11-12-13-18(16(21)14(2)19)17(22)15(3)20/h4,14-17,19-22H,1,5-13H2,2-3H3.
What are the key properties of 1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol?
1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol has a molecular weight of 317.47 g/mol, XLogP of 1.99, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol is sourced from PubChem (CID 101343818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).