[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine

C14H28N2 — CID 103563130

IUPAC[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine
SMILESCC1CC(CN)(N2CCC(C(C)(C)C)C2)C1
InChIInChI=1S/C14H28N2/c1-11-7-14(8-11,10-15)16-6-5-12(9-16)13(2,3)4/h11-12H,5-10,15H2,1-4H3
InChIKeyQOQXUUUFTHHVML-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.48
Rot. Bonds2

About [1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine

[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine (PubChem CID 103563130) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine
PubChem CID103563130
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine
SMILESCC1CC(CN)(N2CCC(C(C)(C)C)C2)C1
InChIInChI=1S/C14H28N2/c1-11-7-14(8-11,10-15)16-6-5-12(9-16)13(2,3)4/h11-12H,5-10,15H2,1-4H3
InChIKeyQOQXUUUFTHHVML-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
CID 103562954
[3-(3-tert-butylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 113417076
[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
CID 103563041
[4-tert-butyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43079349
[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
CID 103562947
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 63471161
[1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562910
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358
[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,3,5-trimethylcyclohexyl]methanamine
CID 43620259
[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757805

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine?
The IUPAC name of [1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine (CID 103563130) is [1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine.
What is the SMILES notation for [1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine?
The canonical SMILES for [1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine is CC1CC(CN)(N2CCC(C(C)(C)C)C2)C1.
What is the InChIKey of [1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine?
The InChIKey is QOQXUUUFTHHVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-7-14(8-11,10-15)16-6-5-12(9-16)13(2,3)4/h11-12H,5-10,15H2,1-4H3.
What are the key properties of [1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine?
[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine is sourced from PubChem (CID 103563130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).