tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate

C15H30N2O2 — CID 104530942

IUPACtert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
SMILESCCCC(C)NCC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-6-7-12(2)16-10-13-8-9-17(11-13)14(18)19-15(3,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyIYPJCXPAQKUYRT-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.02
Rot. Bonds5

About tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate (PubChem CID 104530942) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
PubChem CID104530942
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
SMILESCCCC(C)NCC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-6-7-12(2)16-10-13-8-9-17(11-13)14(18)19-15(3,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyIYPJCXPAQKUYRT-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(5-methylhexan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104538164
tert-butyl 3-[(1,1-difluoropropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 107242462
tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782880
tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246551
tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103700546
tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103766005
tert-butyl 3-[(4-methylsulfinylbutan-2-ylamino)methyl]piperidine-1-carboxylate
CID 103766113
tert-butyl 3-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 104582153
tert-butyl (3S)-3-[[[(2S)-2-aminopropanoyl]amino]methyl]pyrrolidine-1-carboxylate
CID 96552151
tert-butyl 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 104538101
tert-butyl 3-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104530945
tert-butyl (3R)-3-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 96551831

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate (CID 104530942) is tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate is CCCC(C)NCC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate?
The InChIKey is IYPJCXPAQKUYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-7-12(2)16-10-13-8-9-17(11-13)14(18)19-15(3,4)5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 104530942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).