N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine

C11H21NO2 — CID 52533901

IUPACN-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
SMILESCOCCN(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C11H21NO2/c1-13-7-5-12(11-2-3-11)8-10-4-6-14-9-10/h10-11H,2-9H2,1H3/t10-/m0/s1
InChIKeyFUDRKEFPYFQRRB-JTQLQIEISA-N
MW199.29 g/mol
LogP1.13
Rot. Bonds6

About N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine

N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 52533901) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
PubChem CID52533901
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
SMILESCOCCN(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C11H21NO2/c1-13-7-5-12(11-2-3-11)8-10-4-6-14-9-10/h10-11H,2-9H2,1H3/t10-/m0/s1
InChIKeyFUDRKEFPYFQRRB-JTQLQIEISA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl(2-methoxyethyl)amino]methyl]oxan-4-one
CID 103057821
N-(oxolan-3-ylmethyl)-N-propylpiperidin-4-amine
CID 61312064
methyl 2-[cyclopentyl(oxolan-3-ylmethyl)amino]acetate
CID 80708077
2-[2-methoxyethyl(oxolan-3-yl)amino]acetic acid
CID 63563211
1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone
CID 94177929
N-[[(2R,5R)-5-methyloxolan-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 100620811
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448139
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76994058
N'-(2-methoxyethyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62557389
2-methoxy-N-(oxolan-3-ylmethyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 50953739
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86989385
ethane;3-(methoxymethyl)oxolane
CID 143285946

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine (CID 52533901) is N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine is COCCN(C[C@@H]1CCOC1)C1CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is FUDRKEFPYFQRRB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-13-7-5-12(11-2-3-11)8-10-4-6-14-9-10/h10-11H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine?
N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 199.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 52533901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).