N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C13H28N2O — CID 115710179

IUPACN-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCOCC(C)NCC(C)CN1CCCC1
InChIInChI=1S/C13H28N2O/c1-4-16-11-13(3)14-9-12(2)10-15-7-5-6-8-15/h12-14H,4-11H2,1-3H3
InChIKeyUXYYVNBYVHVCQV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 115710179) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID115710179
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCOCC(C)NCC(C)CN1CCCC1
InChIInChI=1S/C13H28N2O/c1-4-16-11-13(3)14-9-12(2)10-15-7-5-6-8-15/h12-14H,4-11H2,1-3H3
InChIKeyUXYYVNBYVHVCQV-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
CID 103389396
2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43749022
N-butan-2-yl-2-methyl-3-morpholin-4-ylpropan-1-amine
CID 115722394
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993042
N-(1-cyclopropylpropyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 64918005
1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61222081
1-(3-ethoxypropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)thiourea
CID 115587709
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
2-methyl-N-[1-(1-methylcyclopropyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 54906710
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993376

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 115710179) is N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CCOCC(C)NCC(C)CN1CCCC1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is UXYYVNBYVHVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-16-11-13(3)14-9-12(2)10-15-7-5-6-8-15/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 115710179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).