N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine

C13H29NO — CID 139968987

IUPACN-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine
SMILESCCNCC(COC)(C(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-8-14-9-13(10-15-7,11(2)3)12(4,5)6/h11,14H,8-10H2,1-7H3
InChIKeyMXPYWDUTKDFOQC-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine

N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine (PubChem CID 139968987) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine
PubChem CID139968987
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine
SMILESCCNCC(COC)(C(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-8-14-9-13(10-15-7,11(2)3)12(4,5)6/h11,14H,8-10H2,1-7H3
InChIKeyMXPYWDUTKDFOQC-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706024
N-ethyl-2-(methoxymethyl)butan-1-amine
CID 65918013
4-(Methoxymethyl)-4-propan-2-ylpiperidine
CID 68321467
2-(methoxymethyl)-N,3-dimethylbutan-1-amine
CID 80411726
N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine
CID 80411728
Ethyl-(1-methoxymethyl-cyclobutylmethyl)-amine
CID 97619088
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 103984514
N-ethyl-2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984520
2-ethyl-2-(methoxymethyl)-N-methylbutan-1-amine
CID 103984562
N,2-diethyl-2-(methoxymethyl)butan-1-amine
CID 103984564
N-ethyl-2-(methoxymethyl)-2-methylbutan-1-amine
CID 103984594
2-cyclopropyl-3-methoxy-N,2-dimethylpropan-1-amine
CID 103984919

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine (CID 139968987) is N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine is CCNCC(COC)(C(C)C)C(C)(C)C.
What is the InChIKey of N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine?
The InChIKey is MXPYWDUTKDFOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-8-14-9-13(10-15-7,11(2)3)12(4,5)6/h11,14H,8-10H2,1-7H3.
What are the key properties of N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine?
N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 139968987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).