[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine

C12H25NO3 — CID 103412747

IUPAC[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine
SMILESCOCCOCCCC1(CN)CCOC1C
InChIInChI=1S/C12H25NO3/c1-11-12(10-13,5-7-16-11)4-3-6-15-9-8-14-2/h11H,3-10,13H2,1-2H3
InChIKeyDSQQKDSJKBOOCV-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.18
Rot. Bonds8

About [3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine

[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine (PubChem CID 103412747) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine
PubChem CID103412747
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine
SMILESCOCCOCCCC1(CN)CCOC1C
InChIInChI=1S/C12H25NO3/c1-11-12(10-13,5-7-16-11)4-3-6-15-9-8-14-2/h11H,3-10,13H2,1-2H3
InChIKeyDSQQKDSJKBOOCV-UHFFFAOYSA-N
XLogP1.18
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 103412751
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103412755
[3-(3-methoxypropyl)-2-methyloxolan-3-yl]methanol
CID 114535558
3-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 114535363
[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
CID 103415092
[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine
CID 114533972
(3-ethyl-2-methyloxolan-3-yl)methanamine
CID 114533945
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)-2-methyloxolane
CID 114535773
[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
CID 114534101
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
[2-cyclopropyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methanol
CID 104568665
[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine
CID 106730398

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine?
The IUPAC name of [3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine (CID 103412747) is [3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine?
The canonical SMILES for [3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine is COCCOCCCC1(CN)CCOC1C.
What is the InChIKey of [3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine?
The InChIKey is DSQQKDSJKBOOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11-12(10-13,5-7-16-11)4-3-6-15-9-8-14-2/h11H,3-10,13H2,1-2H3.
What are the key properties of [3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine?
[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine is sourced from PubChem (CID 103412747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).