N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine

C15H31NO — CID 103036768

IUPACN-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CCC(C)(C)OC)CCCCC1
InChIInChI=1S/C15H31NO/c1-5-16-13-15(9-7-6-8-10-15)12-11-14(2,3)17-4/h16H,5-13H2,1-4H3
InChIKeyXQKSEVZGPHULFI-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds7

About N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine

N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine (PubChem CID 103036768) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine
PubChem CID103036768
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CCC(C)(C)OC)CCCCC1
InChIInChI=1S/C15H31NO/c1-5-16-13-15(9-7-6-8-10-15)12-11-14(2,3)17-4/h16H,5-13H2,1-4H3
InChIKeyXQKSEVZGPHULFI-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]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

Related Compounds

CID 103025252
CID 103025252
CID 103031217
CID 103031217
CID 103031647
CID 103031647
CID 103034545
CID 103034545
CID 103034546
CID 103034546
CID 103034547
CID 103034547
CID 103034548
CID 103034548
CID 103034549
CID 103034549
CID 103034551
CID 103034551
CID 103034552
CID 103034552
CID 103034567
CID 103034567
CID 103034568
CID 103034568

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine (CID 103036768) is N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine is CCNCC1(CCC(C)(C)OC)CCCCC1.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine?
The InChIKey is XQKSEVZGPHULFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-16-13-15(9-7-6-8-10-15)12-11-14(2,3)17-4/h16H,5-13H2,1-4H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine?
N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 103036768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).