1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol

C14H27NO3 — CID 174081461

IUPAC1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol
SMILESCC#CC(O)CN(C)CCCOCCOCCC
InChIInChI=1S/C14H27NO3/c1-4-7-14(16)13-15(3)8-6-10-18-12-11-17-9-5-2/h14,16H,5-6,8-13H2,1-3H3
InChIKeyGMCTXCOSKCHXND-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.14
Rot. Bonds11

About 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol

1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol (PubChem CID 174081461) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol.

Molecular Properties

Compound Name1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol
PubChem CID174081461
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol
SMILESCC#CC(O)CN(C)CCCOCCOCCC
InChIInChI=1S/C14H27NO3/c1-4-7-14(16)13-15(3)8-6-10-18-12-11-17-9-5-2/h14,16H,5-6,8-13H2,1-3H3
InChIKeyGMCTXCOSKCHXND-UHFFFAOYSA-N
XLogP1.14
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-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

1-[methyl-[2-(3-propoxypropoxy)ethyl]amino]pent-3-yn-2-ol
CID 174081464
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
1-[3-[methyl(3-propoxypropyl)amino]azetidin-3-yl]but-2-yn-1-ol
CID 174081455
1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol
CID 19694651
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
N-(3-but-2-ynoxypropyl)-N,2-dimethylpropan-1-amine;ethane
CID 142616069
N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
CID 167513119
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol
CID 141188993
1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 63934385
N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915870
3-hexoxy-N-methyl-N-propylpropan-1-amine
CID 155459820

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol?
The IUPAC name of 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol (CID 174081461) is 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol.
What is the SMILES notation for 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol?
The canonical SMILES for 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol is CC#CC(O)CN(C)CCCOCCOCCC.
What is the InChIKey of 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol?
The InChIKey is GMCTXCOSKCHXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-7-14(16)13-15(3)8-6-10-18-12-11-17-9-5-2/h14,16H,5-6,8-13H2,1-3H3.
What are the key properties of 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol?
1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol has a molecular weight of 257.37 g/mol, XLogP of 1.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-(2-propoxyethoxy)propyl]amino]pent-3-yn-2-ol is sourced from PubChem (CID 174081461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).