2-aminodec-4-yn-1-ol

C10H19NO — CID 170893246

IUPAC2-aminodec-4-yn-1-ol
SMILESCCCCCC#CCC(N)CO
InChIInChI=1S/C10H19NO/c1-2-3-4-5-6-7-8-10(11)9-12/h10,12H,2-5,8-9,11H2,1H3
InChIKeyBZKNWDVMLOKPNQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.28
Rot. Bonds5

About 2-aminodec-4-yn-1-ol

2-aminodec-4-yn-1-ol (PubChem CID 170893246) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-aminodec-4-yn-1-ol.

Molecular Properties

Compound Name2-aminodec-4-yn-1-ol
PubChem CID170893246
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-aminodec-4-yn-1-ol
SMILESCCCCCC#CCC(N)CO
InChIInChI=1S/C10H19NO/c1-2-3-4-5-6-7-8-10(11)9-12/h10,12H,2-5,8-9,11H2,1H3
InChIKeyBZKNWDVMLOKPNQ-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undec-5-yn-1-ol
CID 13113234
pentacos-4-yne
CID 22223888
nonacos-4-yne
CID 22223961
henicos-8-yne
CID 22224321
(2R,3S)-2-aminooctadec-4-yne-1,3-diol
CID 14131081
(2S)-2-aminoundecan-1-ol
CID 98129192
heptadeca-4,7,10-triyne
CID 171715223
2-aminononadecan-1-ol
CID 87201322
heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
hexadec-2-yn-1-ol
CID 11010038
octadec-2-yn-1-ol
CID 2825194

Frequently Asked Questions

What is the IUPAC name of 2-aminodec-4-yn-1-ol?
The IUPAC name of 2-aminodec-4-yn-1-ol (CID 170893246) is 2-aminodec-4-yn-1-ol.
What is the SMILES notation for 2-aminodec-4-yn-1-ol?
The canonical SMILES for 2-aminodec-4-yn-1-ol is CCCCCC#CCC(N)CO.
What is the InChIKey of 2-aminodec-4-yn-1-ol?
The InChIKey is BZKNWDVMLOKPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-5-6-7-8-10(11)9-12/h10,12H,2-5,8-9,11H2,1H3.
What are the key properties of 2-aminodec-4-yn-1-ol?
2-aminodec-4-yn-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminodec-4-yn-1-ol is sourced from PubChem (CID 170893246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).