N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride

C13H29ClN2O — CID 115608918

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCOCCN1CCCC1CNCC(C)(C)C.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-13(2,3)11-14-10-12-6-5-7-15(12)8-9-16-4;/h12,14H,5-11H2,1-4H3;1H
InChIKeyVAPFTTAUJDFSMB-UHFFFAOYSA-N
MW264.84 g/mol
LogP2.15
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 115608918) has the molecular formula C13H29ClN2O and a molecular weight of 264.84 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID115608918
Molecular FormulaC13H29ClN2O
Molecular Weight264.84 g/mol
Exact Mass264.20
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCOCCN1CCCC1CNCC(C)(C)C.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-13(2,3)11-14-10-12-6-5-7-15(12)8-9-16-4;/h12,14H,5-11H2,1-4H3;1H
InChIKeyVAPFTTAUJDFSMB-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
2,2-dimethyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103838761
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62582162
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 115716465
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methyl]ethanamine
CID 112589848
N-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616373
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111178748
3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
CID 119874866
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110975800

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride (CID 115608918) is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride is COCCN1CCCC1CNCC(C)(C)C.Cl.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is VAPFTTAUJDFSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.ClH/c1-13(2,3)11-14-10-12-6-5-7-15(12)8-9-16-4;/h12,14H,5-11H2,1-4H3;1H.
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride?
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 115608918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).