N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine

C13H28N2 — CID 63143220

IUPACN-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CC1(CC)CCNC1
InChIInChI=1S/C13H28N2/c1-5-12(3)9-15(4)11-13(6-2)7-8-14-10-13/h12,14H,5-11H2,1-4H3
InChIKeyJMJXWYRPTFDAKL-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds6

About N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine

N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 63143220) 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-1-amine.

Molecular Properties

Compound NameN-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID63143220
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CC1(CC)CCNC1
InChIInChI=1S/C13H28N2/c1-5-12(3)9-15(4)11-13(6-2)7-8-14-10-13/h12,14H,5-11H2,1-4H3
InChIKeyJMJXWYRPTFDAKL-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63129369
3-ethyl-3-(2-methylbutyl)pyrrolidine
CID 62352988
N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143069
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine
CID 79470769
N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
CID 63957661
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
CID 65009362
1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
CID 55165548
N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine
CID 63143274
N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143226
N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 63132920
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine
CID 63143130

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine (CID 63143220) is N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)CC1(CC)CCNC1.
What is the InChIKey of N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is JMJXWYRPTFDAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-12(3)9-15(4)11-13(6-2)7-8-14-10-13/h12,14H,5-11H2,1-4H3.
What are the key properties of N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine?
N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 6 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-1-amine is sourced from PubChem (CID 63143220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).