2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine

C14H31N3 — CID 62889896

IUPAC2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)CN1CCCC1CN(C)C
InChIInChI=1S/C14H31N3/c1-5-14(6-2,11-15)12-17-9-7-8-13(17)10-16(3)4/h13H,5-12,15H2,1-4H3
InChIKeyVWTFRELNYCYKHM-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds7

About 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine

2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine (PubChem CID 62889896) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine
PubChem CID62889896
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)CN1CCCC1CN(C)C
InChIInChI=1S/C14H31N3/c1-5-14(6-2,11-15)12-17-9-7-8-13(17)10-16(3)4/h13H,5-12,15H2,1-4H3
InChIKeyVWTFRELNYCYKHM-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62278340
2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine
CID 104690375
1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 65005084
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-ethylbutan-1-amine
CID 65324892
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114495592
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454779
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
CID 62890251
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-amine
CID 62886971
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647
2-(aminomethyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 113270081
(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine (CID 62889896) is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine is CCC(CC)(CN)CN1CCCC1CN(C)C.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine?
The InChIKey is VWTFRELNYCYKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-14(6-2,11-15)12-17-9-7-8-13(17)10-16(3)4/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine?
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 62889896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).