N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine

C13H28N2 — CID 79414358

IUPACN-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)N1CCCC1
InChIInChI=1S/C13H28N2/c1-11(10-14-13(3,4)5)12(2)15-8-6-7-9-15/h11-12,14H,6-10H2,1-5H3
InChIKeyGJKODJGRUSCOKU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds4

About N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine

N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79414358) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine
PubChem CID79414358
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)N1CCCC1
InChIInChI=1S/C13H28N2/c1-11(10-14-13(3,4)5)12(2)15-8-6-7-9-15/h11-12,14H,6-10H2,1-5H3
InChIKeyGJKODJGRUSCOKU-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine
CID 79408559
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butyl-2-methylbutan-1-amine
CID 79945283
N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine
CID 103539731
2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine
CID 62437742
N-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine
CID 79414718
3-(4-tert-butylpiperidin-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81012728
N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
CID 79409298
N-ethyl-2-methyl-3-(1,4-oxazepan-4-yl)butan-1-amine
CID 81019597
2-methyl-N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)butan-1-amine
CID 81019480
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79409918

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine (CID 79414358) is N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine is CC(CNC(C)(C)C)C(C)N1CCCC1.
What is the InChIKey of N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is GJKODJGRUSCOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(10-14-13(3,4)5)12(2)15-8-6-7-9-15/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine?
N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79414358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).