4-(hex-5-ynylamino)butan-1-ol

C10H19NO — CID 106211716

IUPAC4-(hex-5-ynylamino)butan-1-ol
SMILESC#CCCCCNCCCCO
InChIInChI=1S/C10H19NO/c1-2-3-4-5-8-11-9-6-7-10-12/h1,11-12H,3-10H2
InChIKeyRNZAMSWOVCLSRO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds8

About 4-(hex-5-ynylamino)butan-1-ol

4-(hex-5-ynylamino)butan-1-ol (PubChem CID 106211716) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(hex-5-ynylamino)butan-1-ol.

Molecular Properties

Compound Name4-(hex-5-ynylamino)butan-1-ol
PubChem CID106211716
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(hex-5-ynylamino)butan-1-ol
SMILESC#CCCCCNCCCCO
InChIInChI=1S/C10H19NO/c1-2-3-4-5-8-11-9-6-7-10-12/h1,11-12H,3-10H2
InChIKeyRNZAMSWOVCLSRO-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.15
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'}

Analyze 4-(hex-5-ynylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadec-15-yn-1-ol
CID 10922615
butane-1,4-diol;hexa-1,5-diyne
CID 138705678
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
undeca-5,10-diyn-1-ol
CID 3442451
3-(hex-5-ynylamino)propanenitrile
CID 106211843
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
3-[3-(but-3-ynylamino)propoxy]propan-1-ol
CID 156883208
6-(hex-5-ynylamino)hexanoic acid
CID 106212008
3-(hex-5-ynylamino)propanamide
CID 106211456
N-(3,3,3-trifluoropropyl)hex-5-yn-1-amine
CID 106211547
lithium;hydride;pent-4-yn-1-ol
CID 173248193

Frequently Asked Questions

What is the IUPAC name of 4-(hex-5-ynylamino)butan-1-ol?
The IUPAC name of 4-(hex-5-ynylamino)butan-1-ol (CID 106211716) is 4-(hex-5-ynylamino)butan-1-ol.
What is the SMILES notation for 4-(hex-5-ynylamino)butan-1-ol?
The canonical SMILES for 4-(hex-5-ynylamino)butan-1-ol is C#CCCCCNCCCCO.
What is the InChIKey of 4-(hex-5-ynylamino)butan-1-ol?
The InChIKey is RNZAMSWOVCLSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-5-8-11-9-6-7-10-12/h1,11-12H,3-10H2.
What are the key properties of 4-(hex-5-ynylamino)butan-1-ol?
4-(hex-5-ynylamino)butan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hex-5-ynylamino)butan-1-ol is sourced from PubChem (CID 106211716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).