N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine

C13H27NO2 — CID 114535216

IUPACN-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
SMILESCCCCC1(CNCCOC)CCOC1C
InChIInChI=1S/C13H27NO2/c1-4-5-6-13(7-9-16-12(13)2)11-14-8-10-15-3/h12,14H,4-11H2,1-3H3
InChIKeyNVMKGQHVKYDOTH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds8

About N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine

N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine (PubChem CID 114535216) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
PubChem CID114535216
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
SMILESCCCCC1(CNCCOC)CCOC1C
InChIInChI=1S/C13H27NO2/c1-4-5-6-13(7-9-16-12(13)2)11-14-8-10-15-3/h12,14H,4-11H2,1-3H3
InChIKeyNVMKGQHVKYDOTH-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-2-azaspiro[4.4]nonane
CID 115012103
(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine
CID 97320972
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine
CID 55106985
2-ethyl-N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 62724640
N-[(2-ethyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 105737209
N-[(2-ethyloxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 105737284
N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 106706221
5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine
CID 58279920
6-ethyl-N,4,4-trimethyloxan-3-amine
CID 90883424
5-(tert-butyl)-N-methyltetrahydrofuran-3-amine
CID 121207652
4-[5-(2,2-dimethylpropyl)oxolan-3-yl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 139524596
3-Methoxy-4-(3-methylpentan-3-yl)pyrrolidine
CID 146578033

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine (CID 114535216) is N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine is CCCCC1(CNCCOC)CCOC1C.
What is the InChIKey of N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine?
The InChIKey is NVMKGQHVKYDOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-5-6-13(7-9-16-12(13)2)11-14-8-10-15-3/h12,14H,4-11H2,1-3H3.
What are the key properties of N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine?
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 114535216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).