N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine

C9H21NO2 — CID 66223820

IUPACN-(2,2-dimethoxyethyl)-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC(OC)OC
InChIInChI=1S/C9H21NO2/c1-6-8(2)10(3)7-9(11-4)12-5/h8-9H,6-7H2,1-5H3
InChIKeyLEWQTSDWDFEFLJ-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.34
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine

N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine (PubChem CID 66223820) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-methylbutan-2-amine
PubChem CID66223820
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN-(2,2-dimethoxyethyl)-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC(OC)OC
InChIInChI=1S/C9H21NO2/c1-6-8(2)10(3)7-9(11-4)12-5/h8-9H,6-7H2,1-5H3
InChIKeyLEWQTSDWDFEFLJ-UHFFFAOYSA-N
XLogP1.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine
CID 66221244
N-(2-chloropropyl)-N-methylbutan-2-amine
CID 79445031
1-N-butan-2-yl-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761505
1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475612
N,N-diethyl-2,2-dimethoxyethanamine
CID 21281611
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63902045
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 159533219
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869
2,2-dimethoxy-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81057838
2-[cyanomethyl(2,2-dimethoxyethyl)amino]acetonitrile
CID 66222758

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine (CID 66223820) is N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine is CCC(C)N(C)CC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine?
The InChIKey is LEWQTSDWDFEFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-6-8(2)10(3)7-9(11-4)12-5/h8-9H,6-7H2,1-5H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine?
N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine is sourced from PubChem (CID 66223820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).