N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine

C14H28N2 — CID 65458533

IUPACN-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN1CC1CCC1
InChIInChI=1S/C14H28N2/c1-12(2)9-15-10-14-7-4-8-16(14)11-13-5-3-6-13/h12-15H,3-11H2,1-2H3
InChIKeyLEENGDQCNBCHOC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds6

About N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65458533) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID65458533
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCN1CC1CCC1
InChIInChI=1S/C14H28N2/c1-12(2)9-15-10-14-7-4-8-16(14)11-13-5-3-6-13/h12-15H,3-11H2,1-2H3
InChIKeyLEENGDQCNBCHOC-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
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-1-amine
CID 62579838
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
2-methyl-N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 64567531
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
N-[[1-(methoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65364305
2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 106725781
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579879
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579878
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581454
N-[[1-(2-tert-butylsulfonylethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 106725778

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine (CID 65458533) is N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCN1CC1CCC1.
What is the InChIKey of N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LEENGDQCNBCHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)9-15-10-14-7-4-8-16(14)11-13-5-3-6-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 224.39 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-[[1-(cyclobutylmethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65458533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).