N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine

C12H24N2O — CID 83074640

IUPACN-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCC1(CNCC2CCCO2)CCCN1
InChIInChI=1S/C12H24N2O/c1-2-12(6-4-7-14-12)10-13-9-11-5-3-8-15-11/h11,13-14H,2-10H2,1H3
InChIKeyABDBXKHXWYFKPD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.29
Rot. Bonds5

About N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 83074640) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID83074640
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCC1(CNCC2CCCO2)CCCN1
InChIInChI=1S/C12H24N2O/c1-2-12(6-4-7-14-12)10-13-9-11-5-3-8-15-11/h11,13-14H,2-10H2,1H3
InChIKeyABDBXKHXWYFKPD-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
CID 117271043
N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63142833
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine
CID 106813007
N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 104594958
N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63133020
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 83073468
N,N,3-trimethyl-1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 61212304
2-[2-(oxolan-2-yl)ethyl]-2-propylazepane
CID 79117021
N-[(2-ethylpyrrolidin-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 83072886
2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072536
2-ethyl-4-[(2-ethylpyrrolidin-2-yl)methyl]-1,4-oxazepane
CID 114218499
N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 83073874

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 83074640) is N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine is CCC1(CNCC2CCCO2)CCCN1.
What is the InChIKey of N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is ABDBXKHXWYFKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-12(6-4-7-14-12)10-13-9-11-5-3-8-15-11/h11,13-14H,2-10H2,1H3.
What are the key properties of N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 83074640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).