2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine

C11H25NO — CID 103984566

IUPAC2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)COC
InChIInChI=1S/C11H25NO/c1-5-8-12-9-11(6-2,7-3)10-13-4/h12H,5-10H2,1-4H3
InChIKeyWCCNHEKGFRHHOI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds8

About 2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine

2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine (PubChem CID 103984566) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine
PubChem CID103984566
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)COC
InChIInChI=1S/C11H25NO/c1-5-8-12-9-11(6-2,7-3)10-13-4/h12H,5-10H2,1-4H3
InChIKeyWCCNHEKGFRHHOI-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-N-propylbutan-1-amine
CID 62724441
2,2-diethyl-4-methyl-N-propylpentan-1-amine
CID 62724440
2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724048
2,2-diethyl-N-propylnonan-1-amine
CID 63507422
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724244
2-methoxy-2-methyl-N-propylpropan-1-amine
CID 62352630
3-ethyl-3-(methoxymethyl)hexane;prop-1-ene
CID 158901199
2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
CID 63508620
2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 55106604
2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62726032

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine (CID 103984566) is 2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine is CCCNCC(CC)(CC)COC.
What is the InChIKey of 2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine?
The InChIKey is WCCNHEKGFRHHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-8-12-9-11(6-2,7-3)10-13-4/h12H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine?
2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine is sourced from PubChem (CID 103984566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).