N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine

C11H25NO2 — CID 106449827

IUPACN-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
SMILESCCC(CNC)OCCOCC(C)C
InChIInChI=1S/C11H25NO2/c1-5-11(8-12-4)14-7-6-13-9-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyPIPQXWALARLTEI-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.67
Rot. Bonds9

About N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine

N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine (PubChem CID 106449827) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
PubChem CID106449827
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
SMILESCCC(CNC)OCCOCC(C)C
InChIInChI=1S/C11H25NO2/c1-5-11(8-12-4)14-7-6-13-9-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyPIPQXWALARLTEI-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.67
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

11,15-Dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 12717859
14,18-Dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 12717860
[(2R,3R)-4-(dimethylazaniumyl)-2,3-dimethoxybutyl]-dimethylazanium
CID 7020888
(14R*,18R*)-14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 44149956
(11R*,15R*)-11,15-Dimethyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 44152678
N-[3-methoxy-2-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-1-amine
CID 103227751
N-[3-methoxy-2-(1,1,1-trifluoropropan-2-yloxy)propyl]-2-methylpropan-1-amine
CID 103228832
N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228954
N-[3-methoxy-2-(3,3,3-trifluoropropoxy)propyl]-2-methylpropan-1-amine
CID 103228993
2-[2-(2-methylpropoxy)ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106450234
9,11-Dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 13177745
Butyl[2-(2-ethoxyethoxy)ethyl]amine
CID 3520692

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine?
The IUPAC name of N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine (CID 106449827) is N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine.
What is the SMILES notation for N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine?
The canonical SMILES for N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine is CCC(CNC)OCCOCC(C)C.
What is the InChIKey of N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine?
The InChIKey is PIPQXWALARLTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-11(8-12-4)14-7-6-13-9-10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine?
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine is sourced from PubChem (CID 106449827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).