2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol

C12H22N2O — CID 106618117

IUPAC2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESC#CC(CC)N(CCO)CC1CCCN1
InChIInChI=1S/C12H22N2O/c1-3-12(4-2)14(8-9-15)10-11-6-5-7-13-11/h1,11-13,15H,4-10H2,2H3
InChIKeyXHWXIGORQUCNSZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.44
Rot. Bonds6

About 2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol

2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106618117) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106618117
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESC#CC(CC)N(CCO)CC1CCCN1
InChIInChI=1S/C12H22N2O/c1-3-12(4-2)14(8-9-15)10-11-6-5-7-13-11/h1,11-13,15H,4-10H2,2H3
InChIKeyXHWXIGORQUCNSZ-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616774
N-(piperidin-2-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106635971
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616352
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
N-ethyl-N-(pyrrolidin-2-ylmethyl)but-3-yn-2-amine
CID 106615574
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile
CID 106635857
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
CID 106618297
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606881
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680

Frequently Asked Questions

What is the IUPAC name of 2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106618117) is 2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol is C#CC(CC)N(CCO)CC1CCCN1.
What is the InChIKey of 2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is XHWXIGORQUCNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-12(4-2)14(8-9-15)10-11-6-5-7-13-11/h1,11-13,15H,4-10H2,2H3.
What are the key properties of 2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 210.32 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106618117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).