N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine

C13H28N2 — CID 63957661

IUPACN-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
SMILESCCC1(CN(C)C(C)(C)CC)CCNC1
InChIInChI=1S/C13H28N2/c1-6-12(3,4)15(5)11-13(7-2)8-9-14-10-13/h14H,6-11H2,1-5H3
InChIKeyNRKXPJXPQKGFFU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds5

About N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine

N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine (PubChem CID 63957661) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
PubChem CID63957661
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
SMILESCCC1(CN(C)C(C)(C)CC)CCNC1
InChIInChI=1S/C13H28N2/c1-6-12(3,4)15(5)11-13(7-2)8-9-14-10-13/h14H,6-11H2,1-5H3
InChIKeyNRKXPJXPQKGFFU-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63143220
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine
CID 63964071
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 63964541
2-ethoxy-N-(2-ethoxyethyl)-N-[(3-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 82953975
1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63960268
N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 63132920
N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143069
4,4-diethylpiperidine;hydrochloride
CID 75419509
N-[(3-ethylpiperidin-3-yl)methyl]-N-propylpropan-1-amine
CID 63133368
3-ethyl-3-(2-methylbutyl)pyrrolidine
CID 62352988
1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
CID 55165548

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine (CID 63957661) is N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine is CCC1(CN(C)C(C)(C)CC)CCNC1.
What is the InChIKey of N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is NRKXPJXPQKGFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-12(3,4)15(5)11-13(7-2)8-9-14-10-13/h14H,6-11H2,1-5H3.
What are the key properties of N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine?
N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 63957661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).