2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine

C12H25NO — CID 139968807

IUPAC2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine
SMILESCCCC(CNCC)(COC)C1CC1
InChIInChI=1S/C12H25NO/c1-4-8-12(10-14-3,9-13-5-2)11-6-7-11/h11,13H,4-10H2,1-3H3
InChIKeyYIUOGOZQCAESGX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds8

About 2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine

2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine (PubChem CID 139968807) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine
PubChem CID139968807
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine
SMILESCCCC(CNCC)(COC)C1CC1
InChIInChI=1S/C12H25NO/c1-4-8-12(10-14-3,9-13-5-2)11-6-7-11/h11,13H,4-10H2,1-3H3
InChIKeyYIUOGOZQCAESGX-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
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)pentan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine (CID 139968807) is 2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine is CCCC(CNCC)(COC)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine?
The InChIKey is YIUOGOZQCAESGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-8-12(10-14-3,9-13-5-2)11-6-7-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine?
2-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine has a molecular weight of 199.34 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-cyclopropyl-N-ethyl-2-(methoxymethyl)pentan-1-amine is sourced from PubChem (CID 139968807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).