N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

C14H28N2O — CID 79183686

IUPACN-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC1CN(CCNC(C)C2CCCO2)CC1C
InChIInChI=1S/C14H28N2O/c1-11-9-16(10-12(11)2)7-6-15-13(3)14-5-4-8-17-14/h11-15H,4-10H2,1-3H3
InChIKeyCYTJYZLBISQKRR-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds5

About N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 79183686) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID79183686
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC1CN(CCNC(C)C2CCCO2)CC1C
InChIInChI=1S/C14H28N2O/c1-11-9-16(10-12(11)2)7-6-15-13(3)14-5-4-8-17-14/h11-15H,4-10H2,1-3H3
InChIKeyCYTJYZLBISQKRR-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 63620007
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62575881
1-cyclopropyl-N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]ethanamine
CID 79183276
N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 62654881
4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one
CID 79887312
1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione
CID 62927199
N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine
CID 113423521
2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine
CID 63686991
4-methoxy-N-[1-(oxolan-2-yl)ethyl]butan-1-amine
CID 104531009
1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62967083
4-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one
CID 55152176
N-[2-(cyclopropylmethoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62599763

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 79183686) is N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is CC1CN(CCNC(C)C2CCCO2)CC1C.
What is the InChIKey of N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is CYTJYZLBISQKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-9-16(10-12(11)2)7-6-15-13(3)14-5-4-8-17-14/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 79183686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).