N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C13H28N2 — CID 94464287

IUPACN-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NC[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C13H28N2/c1-12(2,3)14-9-11-7-8-15(10-11)13(4,5)6/h11,14H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyQLBDUPPCELUTMY-LLVKDONJSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds2

About N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 94464287) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID94464287
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NC[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C13H28N2/c1-12(2,3)14-9-11-7-8-15(10-11)13(4,5)6/h11,14H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyQLBDUPPCELUTMY-LLVKDONJSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
2-methyl-N-[[1-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 83015474
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
2-methyl-N-[[1-(1-methylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513098
2-methyl-N-[[1-(1-methylcyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 64689210
2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63243856
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511581
N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512607
N-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512373
4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine
CID 160991288
4-[(1-tert-butylpyrrolidin-3-yl)methyl]-1-methylpiperidine
CID 159520791
2-methyl-N-[(1-methylazetidin-3-yl)methyl]propan-2-amine
CID 162784925

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 94464287) is N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NC[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QLBDUPPCELUTMY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2,3)14-9-11-7-8-15(10-11)13(4,5)6/h11,14H,7-10H2,1-6H3/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 94464287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).