4-amino-2-methylnonane-1,3-diol

C10H23NO2 — CID 134423257

IUPAC4-amino-2-methylnonane-1,3-diol
SMILESCCCCCC(N)C(O)C(C)CO
InChIInChI=1S/C10H23NO2/c1-3-4-5-6-9(11)10(13)8(2)7-12/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeySIURQCPTWLFOPP-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.88
Rot. Bonds7

About 4-amino-2-methylnonane-1,3-diol

4-amino-2-methylnonane-1,3-diol (PubChem CID 134423257) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-amino-2-methylnonane-1,3-diol.

Molecular Properties

Compound Name4-amino-2-methylnonane-1,3-diol
PubChem CID134423257
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name4-amino-2-methylnonane-1,3-diol
SMILESCCCCCC(N)C(O)C(C)CO
InChIInChI=1S/C10H23NO2/c1-3-4-5-6-9(11)10(13)8(2)7-12/h8-10,12-13H,3-7,11H2,1-2H3
InChIKeySIURQCPTWLFOPP-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-aminooctan-2-ol
CID 14271184
(2S,3S)-3-aminoheptadecane-1,2-diol
CID 10085469
(2S,3S)-2-amino-3-methylicosan-1-ol
CID 118700758
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
3-aminoicosan-2-ol
CID 19964089
(2S)-2-aminoheptane-1,1-diol
CID 166719915
2-methyldodecane-1,3-diol
CID 14736951
2-amino-4-methylheptane-1,3-diol
CID 66204531
2-aminodocosane-1,3,4-triol
CID 73238284
(2S,3S,4S)-2-aminohexadecane-1,3,4-triol
CID 163003966

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylnonane-1,3-diol?
The IUPAC name of 4-amino-2-methylnonane-1,3-diol (CID 134423257) is 4-amino-2-methylnonane-1,3-diol.
What is the SMILES notation for 4-amino-2-methylnonane-1,3-diol?
The canonical SMILES for 4-amino-2-methylnonane-1,3-diol is CCCCCC(N)C(O)C(C)CO.
What is the InChIKey of 4-amino-2-methylnonane-1,3-diol?
The InChIKey is SIURQCPTWLFOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-3-4-5-6-9(11)10(13)8(2)7-12/h8-10,12-13H,3-7,11H2,1-2H3.
What are the key properties of 4-amino-2-methylnonane-1,3-diol?
4-amino-2-methylnonane-1,3-diol has a molecular weight of 189.30 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylnonane-1,3-diol is sourced from PubChem (CID 134423257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).