2-aminodecane-3,3-diol

C10H23NO2 — CID 146523867

IUPAC2-aminodecane-3,3-diol
SMILESCCCCCCCC(O)(O)C(C)N
InChIInChI=1S/C10H23NO2/c1-3-4-5-6-7-8-10(12,13)9(2)11/h9,12-13H,3-8,11H2,1-2H3
InChIKeyYXXTWJFPFQRWFC-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.38
Rot. Bonds7

About 2-aminodecane-3,3-diol

2-aminodecane-3,3-diol (PubChem CID 146523867) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-aminodecane-3,3-diol.

Molecular Properties

Compound Name2-aminodecane-3,3-diol
PubChem CID146523867
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-aminodecane-3,3-diol
SMILESCCCCCCCC(O)(O)C(C)N
InChIInChI=1S/C10H23NO2/c1-3-4-5-6-7-8-10(12,13)9(2)11/h9,12-13H,3-8,11H2,1-2H3
InChIKeyYXXTWJFPFQRWFC-UHFFFAOYSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.38
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

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CID 19607501
2-chlorohenicosane-3,3-diol
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CID 20507531
1-aminoundecane-1,1-diol
CID 21111671
2,3-dimethyltridecan-3-ol
CID 14591139
3-decyltridecane-2,3-diol
CID 175905550
tritriacontane-15,15,16,16-tetrol
CID 19863089
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CID 20528880
ethanol;heptane;propan-2-amine
CID 87057720
triacontane-1,1,1-triol
CID 87376487
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168

Frequently Asked Questions

What is the IUPAC name of 2-aminodecane-3,3-diol?
The IUPAC name of 2-aminodecane-3,3-diol (CID 146523867) is 2-aminodecane-3,3-diol.
What is the SMILES notation for 2-aminodecane-3,3-diol?
The canonical SMILES for 2-aminodecane-3,3-diol is CCCCCCCC(O)(O)C(C)N.
What is the InChIKey of 2-aminodecane-3,3-diol?
The InChIKey is YXXTWJFPFQRWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-3-4-5-6-7-8-10(12,13)9(2)11/h9,12-13H,3-8,11H2,1-2H3.
What are the key properties of 2-aminodecane-3,3-diol?
2-aminodecane-3,3-diol has a molecular weight of 189.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminodecane-3,3-diol is sourced from PubChem (CID 146523867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).