14-aminotetradecane-1,1-diol

C14H31NO2 — CID 87370531

IUPAC14-aminotetradecane-1,1-diol
SMILESNCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C14H31NO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h14,16-17H,1-13,15H2
InChIKeyYDHJKIBJZJAANK-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.94
Rot. Bonds13

About 14-aminotetradecane-1,1-diol

14-aminotetradecane-1,1-diol (PubChem CID 87370531) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 14-aminotetradecane-1,1-diol.

Molecular Properties

Compound Name14-aminotetradecane-1,1-diol
PubChem CID87370531
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name14-aminotetradecane-1,1-diol
SMILESNCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C14H31NO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h14,16-17H,1-13,15H2
InChIKeyYDHJKIBJZJAANK-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

14-aminotetradecane-1,1-diol;oxirane
CID 87370530
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
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822

Frequently Asked Questions

What is the IUPAC name of 14-aminotetradecane-1,1-diol?
The IUPAC name of 14-aminotetradecane-1,1-diol (CID 87370531) is 14-aminotetradecane-1,1-diol.
What is the SMILES notation for 14-aminotetradecane-1,1-diol?
The canonical SMILES for 14-aminotetradecane-1,1-diol is NCCCCCCCCCCCCCC(O)O.
What is the InChIKey of 14-aminotetradecane-1,1-diol?
The InChIKey is YDHJKIBJZJAANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h14,16-17H,1-13,15H2.
What are the key properties of 14-aminotetradecane-1,1-diol?
14-aminotetradecane-1,1-diol has a molecular weight of 245.41 g/mol, XLogP of 2.94, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-aminotetradecane-1,1-diol is sourced from PubChem (CID 87370531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).