N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine

C14H30N2O — CID 103539731

IUPACN-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine
SMILESCOC1CCN(C(C)C(C)CNC(C)(C)C)C1
InChIInChI=1S/C14H30N2O/c1-11(9-15-14(3,4)5)12(2)16-8-7-13(10-16)17-6/h11-13,15H,7-10H2,1-6H3
InChIKeyLXVSSJCBPFWUGB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds5

About N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine

N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine (PubChem CID 103539731) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine
PubChem CID103539731
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine
SMILESCOC1CCN(C(C)C(C)CNC(C)(C)C)C1
InChIInChI=1S/C14H30N2O/c1-11(9-15-14(3,4)5)12(2)16-8-7-13(10-16)17-6/h11-13,15H,7-10H2,1-6H3
InChIKeyLXVSSJCBPFWUGB-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 103539682
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-2-methyl-3-pyrrolidin-1-ylbutan-1-amine
CID 79414358
3-(3-methoxypiperidin-1-yl)-2-methylbutan-1-amine
CID 102968184
N-tert-butyl-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine
CID 79408559
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
3-(3-methoxypyrrolidin-1-yl)-N-methylbutan-1-amine
CID 103539768
(3S)-1-(1,3-dichloropropan-2-yl)-3-methoxypyrrolidine
CID 162371914
4-(3-methoxypyrrolidin-1-yl)pentan-2-ol
CID 103537676
N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 103227214
3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 102967905

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine (CID 103539731) is N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine is COC1CCN(C(C)C(C)CNC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine?
The InChIKey is LXVSSJCBPFWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(9-15-14(3,4)5)12(2)16-8-7-13(10-16)17-6/h11-13,15H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine?
N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 103539731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).