2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine

C14H30N2 — CID 62579838

IUPAC2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCC(C)CN1CCCC1CNCC(C)C
InChIInChI=1S/C14H30N2/c1-5-13(4)11-16-8-6-7-14(16)10-15-9-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyOXVRBGUAGMTKKF-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds7

About 2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 62579838) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID62579838
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCC(C)CN1CCCC1CNCC(C)C
InChIInChI=1S/C14H30N2/c1-5-13(4)11-16-8-6-7-14(16)10-15-9-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyOXVRBGUAGMTKKF-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580562
N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65458533
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
CID 79028743
3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]propane-1,2-diol
CID 82844673
3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104692283
2-methyl-N-[[1-(2-methylbutyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580952
2-methyl-N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 64567531
N-[[1-(methoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65364305
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine (CID 62579838) is 2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine is CCC(C)CN1CCCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is OXVRBGUAGMTKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13(4)11-16-8-6-7-14(16)10-15-9-12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62579838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).