3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol

C14H28N2O — CID 103070347

IUPAC3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
SMILESC=C(CNC(C)C)CN1CCCC1CCCO
InChIInChI=1S/C14H28N2O/c1-12(2)15-10-13(3)11-16-8-4-6-14(16)7-5-9-17/h12,14-15,17H,3-11H2,1-2H3
InChIKeyYEPLKZOJVRHJFN-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.78
Rot. Bonds8

About 3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 103070347) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID103070347
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
SMILESC=C(CNC(C)C)CN1CCCC1CCCO
InChIInChI=1S/C14H28N2O/c1-12(2)15-10-13(3)11-16-8-4-6-14(16)7-5-9-17/h12,14-15,17H,3-11H2,1-2H3
InChIKeyYEPLKZOJVRHJFN-UHFFFAOYSA-N
XLogP1.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2s)-Pyrrolidin-2-yl)-3-buten-1-ol
CID 11423649
4-(3-Methylidenepyrrolidin-2-yl)butan-2-ol
CID 91535218
3-[1-[3-(Tert-butylamino)propyl]pyrrolidin-2-yl]propan-1-ol
CID 55076031
3-[1-[3-(Ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
CID 55076512
3-[1-(4-Aminobutan-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468419
3-[1-(3-Amino-2-methylpropyl)pyrrolidin-2-yl]propan-1-ol
CID 62468422
3-[1-(1-Aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468424
3-[1-[3-(Methylamino)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62468880
3-[1-[3-(Propan-2-ylamino)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62469047
3-[1-[3-(Propylamino)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62469051
3-[1-[3-(Ethylamino)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62469052
3-[1-(3-Methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 62469058

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol (CID 103070347) is 3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol is C=C(CNC(C)C)CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is YEPLKZOJVRHJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)15-10-13(3)11-16-8-4-6-14(16)7-5-9-17/h12,14-15,17H,3-11H2,1-2H3.
What are the key properties of 3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 103070347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).