N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride

C11H25ClN2O — CID 119922056

IUPACN-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(CCOC(C)C)C1.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-10(2)14-7-6-13-5-4-11(9-13)8-12-3;/h10-12H,4-9H2,1-3H3;1H
InChIKeyNJFLNZRMPGNUMU-UHFFFAOYSA-N
MW236.79 g/mol
LogP1.37
Rot. Bonds6

About N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119922056) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119922056
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC NameN-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(CCOC(C)C)C1.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-10(2)14-7-6-13-5-4-11(9-13)8-12-3;/h10-12H,4-9H2,1-3H3;1H
InChIKeyNJFLNZRMPGNUMU-UHFFFAOYSA-N
XLogP1.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914636
N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 119923511
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 80676052
4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine
CID 80677013
[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanamine
CID 61485123
N-methyl-1-[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methanamine
CID 102906426
3-ethyl-N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 114507946
N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 103815455
1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120966176

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride (CID 119922056) is N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride is CNCC1CCN(CCOC(C)C)C1.Cl.
What is the InChIKey of N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is NJFLNZRMPGNUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-10(2)14-7-6-13-5-4-11(9-13)8-12-3;/h10-12H,4-9H2,1-3H3;1H.
What are the key properties of N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119922056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).