1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol

C12H22N2O — CID 106221253

IUPAC1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESC#CCCCNCC(O)CN1CCCC1
InChIInChI=1S/C12H22N2O/c1-2-3-4-7-13-10-12(15)11-14-8-5-6-9-14/h1,12-13,15H,3-11H2
InChIKeyLCSZFVVBPSPTCF-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.45
Rot. Bonds7

About 1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol

1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 106221253) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID106221253
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESC#CCCCNCC(O)CN1CCCC1
InChIInChI=1S/C12H22N2O/c1-2-3-4-7-13-10-12(15)11-14-8-5-6-9-14/h1,12-13,15H,3-11H2
InChIKeyLCSZFVVBPSPTCF-UHFFFAOYSA-N
XLogP0.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106221458
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 79394060
(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol
CID 62991883
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 106427604
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 112685123
1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729575
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-N-methylacetamide
CID 60901241
1-butoxy-3-(pent-4-ynylamino)propan-2-ol
CID 106221181

Frequently Asked Questions

What is the IUPAC name of 1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol (CID 106221253) is 1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol is C#CCCCNCC(O)CN1CCCC1.
What is the InChIKey of 1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is LCSZFVVBPSPTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-4-7-13-10-12(15)11-14-8-5-6-9-14/h1,12-13,15H,3-11H2.
What are the key properties of 1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 106221253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).