2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

C14H28N2O — CID 106981820

IUPAC2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(C)C1(CNCCC2CCCO2)CCNC1
InChIInChI=1S/C14H28N2O/c1-12(2)14(6-8-16-11-14)10-15-7-5-13-4-3-9-17-13/h12-13,15-16H,3-11H2,1-2H3
InChIKeyOBMKSESFZGASET-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.78
Rot. Bonds6

About 2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 106981820) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID106981820
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCC(C)C1(CNCCC2CCCO2)CCNC1
InChIInChI=1S/C14H28N2O/c1-12(2)14(6-8-16-11-14)10-15-7-5-13-4-3-9-17-13/h12-13,15-16H,3-11H2,1-2H3
InChIKeyOBMKSESFZGASET-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole
CID 89146889
1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine
CID 91572209
3-Methoxy-4-(3-methylpentan-3-yl)pyrrolidine
CID 146578033
3-Hexan-3-yl-4-methoxy-3-methylpyrrolidine
CID 155077490
3-[2,5-Dimethyl-5-(oxolan-2-yl)hexan-2-yl]pyrrolidine
CID 169561776
3-ethyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole
CID 176275618
N-[[1-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081490
N-[(3-ethylpiperidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 55164909
[1-[2-(Oxolan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 61787231
2-methyl-N-[[1-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513280
2-methyl-N-[[1-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513281
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 62513435

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (CID 106981820) is 2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is CC(C)C1(CNCCC2CCCO2)CCNC1.
What is the InChIKey of 2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is OBMKSESFZGASET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)14(6-8-16-11-14)10-15-7-5-13-4-3-9-17-13/h12-13,15-16H,3-11H2,1-2H3.
What are the key properties of 2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 106981820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).