2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine

C12H25NO — CID 139968816

IUPAC2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine
SMILESCCNCC(COC)(C(C)C)C1CC1
InChIInChI=1S/C12H25NO/c1-5-13-8-12(9-14-4,10(2)3)11-6-7-11/h10-11,13H,5-9H2,1-4H3
InChIKeyHKBGCJKFWCHUHU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.29
Rot. Bonds7

About 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine

2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine (PubChem CID 139968816) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine
PubChem CID139968816
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine
SMILESCCNCC(COC)(C(C)C)C1CC1
InChIInChI=1S/C12H25NO/c1-5-13-8-12(9-14-4,10(2)3)11-6-7-11/h10-11,13H,5-9H2,1-4H3
InChIKeyHKBGCJKFWCHUHU-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine (CID 139968816) is 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine is CCNCC(COC)(C(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine?
The InChIKey is HKBGCJKFWCHUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-13-8-12(9-14-4,10(2)3)11-6-7-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine?
2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 139968816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).