N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine

C13H27NO — CID 155793897

IUPACN-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine
SMILESCCN(CC)CC1(COC(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-6-14(7-2)10-13(8-9-13)11-15-12(3,4)5/h6-11H2,1-5H3
InChIKeyUGQUJHANOIAEFX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds6

About N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine

N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine (PubChem CID 155793897) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine
PubChem CID155793897
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine
SMILESCCN(CC)CC1(COC(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-6-14(7-2)10-13(8-9-13)11-15-12(3,4)5/h6-11H2,1-5H3
InChIKeyUGQUJHANOIAEFX-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine (CID 155793897) is N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine is CCN(CC)CC1(COC(C)(C)C)CC1.
What is the InChIKey of N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine?
The InChIKey is UGQUJHANOIAEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-14(7-2)10-13(8-9-13)11-15-12(3,4)5/h6-11H2,1-5H3.
What are the key properties of N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine?
N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 155793897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).