N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine

C15H32N2O — CID 103227214

IUPACN-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)N1CCC(C(C)C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)13-7-8-17(10-13)14(11-18-6)9-16-15(3,4)5/h12-14,16H,7-11H2,1-6H3
InChIKeyJVPHEPKNNCGAGG-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds6

About N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine

N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 103227214) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID103227214
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)N1CCC(C(C)C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)13-7-8-17(10-13)14(11-18-6)9-16-15(3,4)5/h12-14,16H,7-11H2,1-6H3
InChIKeyJVPHEPKNNCGAGG-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 103226503
3-methoxy-N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503291
N-ethyl-3-methoxy-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503315
1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine
CID 103226843
N-[2-(4,4-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103226367
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227144
N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227315
N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494
tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
CID 102730438
2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103225146
1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238325

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine (CID 103227214) is N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine is COCC(CNC(C)(C)C)N1CCC(C(C)C)C1.
What is the InChIKey of N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is JVPHEPKNNCGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)13-7-8-17(10-13)14(11-18-6)9-16-15(3,4)5/h12-14,16H,7-11H2,1-6H3.
What are the key properties of N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine?
N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103227214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).