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

C13H28N2 — CID 83073009

IUPACN-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine
SMILESCCC1(CN(C)CCC(C)C)CCCN1
InChIInChI=1S/C13H28N2/c1-5-13(8-6-9-14-13)11-15(4)10-7-12(2)3/h12,14H,5-11H2,1-4H3
InChIKeyRLLYKEWAJMJZDC-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

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

N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine (PubChem CID 83073009) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine
PubChem CID83073009
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine
SMILESCCC1(CN(C)CCC(C)C)CCCN1
InChIInChI=1S/C13H28N2/c1-5-13(8-6-9-14-13)11-15(4)10-7-12(2)3/h12,14H,5-11H2,1-4H3
InChIKeyRLLYKEWAJMJZDC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-Dimethylpyrrolidin-1-yl)ethan-1-amine
CID 45157077
6-Methyl-6,9-diazaspiro[4.5]decane
CID 28901865
9-Methyl-6,9-diazaspiro[4.5]decane
CID 52416411
1,2,3-Propanetriamine, N(sup 1),N(sup 3)-bis(2-ethylhexyl)-N(sup 1),2-dimethyl-
CID 107182
2,2,5,5-Tetramethylpyrrolidin-3-amine
CID 44718759
1-(Cyclopentylmethyl)pyrrolidin-3-amine
CID 43371132
3-(2-Methylpropyl)pyrrolidine
CID 22975332
3-(1-Methylpyrrolidin-3-yl)propan-1-amine
CID 23009458
2-Methyl-2,6-diazaspiro[4.5]decane
CID 55264586
8-Methyl-1,8-diazaspiro(4.5)decane
CID 57695054
2-Methyl-2-(2-methylpropyl)pyrrolidine
CID 66466212
1-Methyl-1,7-diazaspiro[4.5]decane dihydrochloride
CID 132354054

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine (CID 83073009) is N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine is CCC1(CN(C)CCC(C)C)CCCN1.
What is the InChIKey of N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine?
The InChIKey is RLLYKEWAJMJZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(8-6-9-14-13)11-15(4)10-7-12(2)3/h12,14H,5-11H2,1-4H3.
What are the key properties of N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine?
N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 83073009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).