14-aminotetradecane-1,1-diol;oxirane

C16H35NO3 — CID 87370530

IUPAC14-aminotetradecane-1,1-diol;oxirane
SMILESC1CO1.NCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C14H31NO2.C2H4O/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17;1-2-3-1/h14,16-17H,1-13,15H2;1-2H2
InChIKeyPDMDTYJCZFXREN-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.95
Rot. Bonds13

About 14-aminotetradecane-1,1-diol;oxirane

14-aminotetradecane-1,1-diol;oxirane (PubChem CID 87370530) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 14-aminotetradecane-1,1-diol;oxirane.

Molecular Properties

Compound Name14-aminotetradecane-1,1-diol;oxirane
PubChem CID87370530
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name14-aminotetradecane-1,1-diol;oxirane
SMILESC1CO1.NCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C14H31NO2.C2H4O/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17;1-2-3-1/h14,16-17H,1-13,15H2;1-2H2
InChIKeyPDMDTYJCZFXREN-UHFFFAOYSA-N
XLogP2.95
TPSA79.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

14-aminotetradecane-1,1-diol
CID 87370531
octane-1,1,8,8-tetrol
CID 88519685
1,6-diaminohexan-1-ol
CID 57008257
pentacosane-1,13,25-triamine
CID 174653759
16-aminohexadec-4-yne-3,6-diol
CID 177314650
octane-1,4,8-triamine
CID 18544198
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
1-aminooctacosan-11-ol
CID 172994921
(2R)-7-amino-2-hydroxyheptanoic acid
CID 144842569
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225

Frequently Asked Questions

What is the IUPAC name of 14-aminotetradecane-1,1-diol;oxirane?
The IUPAC name of 14-aminotetradecane-1,1-diol;oxirane (CID 87370530) is 14-aminotetradecane-1,1-diol;oxirane.
What is the SMILES notation for 14-aminotetradecane-1,1-diol;oxirane?
The canonical SMILES for 14-aminotetradecane-1,1-diol;oxirane is C1CO1.NCCCCCCCCCCCCCC(O)O.
What is the InChIKey of 14-aminotetradecane-1,1-diol;oxirane?
The InChIKey is PDMDTYJCZFXREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2.C2H4O/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17;1-2-3-1/h14,16-17H,1-13,15H2;1-2H2.
What are the key properties of 14-aminotetradecane-1,1-diol;oxirane?
14-aminotetradecane-1,1-diol;oxirane has a molecular weight of 289.46 g/mol, XLogP of 2.95, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-aminotetradecane-1,1-diol;oxirane is sourced from PubChem (CID 87370530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).