N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine

C13H27NO — CID 103984491

IUPACN-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCOCC1(CNC(C)C)CCCCC1
InChIInChI=1S/C13H27NO/c1-4-15-11-13(10-14-12(2)3)8-6-5-7-9-13/h12,14H,4-11H2,1-3H3
InChIKeyTVSIJYPDAGDLSX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine

N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 103984491) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID103984491
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCOCC1(CNC(C)C)CCCCC1
InChIInChI=1S/C13H27NO/c1-4-15-11-13(10-14-12(2)3)8-6-5-7-9-13/h12,14H,4-11H2,1-3H3
InChIKeyTVSIJYPDAGDLSX-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine 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-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine (CID 103984491) is N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine is CCOCC1(CNC(C)C)CCCCC1.
What is the InChIKey of N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is TVSIJYPDAGDLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-15-11-13(10-14-12(2)3)8-6-5-7-9-13/h12,14H,4-11H2,1-3H3.
What are the key properties of N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 103984491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).