N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine

C12H26N2O — CID 64605853

IUPACN-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCOCCC(C)NC1CCN(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)14-7-5-12(9-14)13-11(3)6-8-15-4/h10-13H,5-9H2,1-4H3
InChIKeyLXGQREHVUFISET-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.48
Rot. Bonds6

About N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine

N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 64605853) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID64605853
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCOCCC(C)NC1CCN(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)14-7-5-12(9-14)13-11(3)6-8-15-4/h10-13H,5-9H2,1-4H3
InChIKeyLXGQREHVUFISET-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfanylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115721705
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 64600843
N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine
CID 65078398
1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 95762985
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 43206641
(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
CID 94474733
N-(1-cyclobutylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115717125
N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide
CID 112698333
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol
CID 115689458

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine (CID 64605853) is N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine is COCCC(C)NC1CCN(C(C)C)C1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is LXGQREHVUFISET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)14-7-5-12(9-14)13-11(3)6-8-15-4/h10-13H,5-9H2,1-4H3.
What are the key properties of N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 64605853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).