N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine

C15H31NO — CID 113361862

IUPACN-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(COC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-6-16-11-15(12-17-5)9-7-13(8-10-15)14(2,3)4/h13,16H,6-12H2,1-5H3
InChIKeyJVXISNAUUMHIRO-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds5

About N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine

N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine (PubChem CID 113361862) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine
PubChem CID113361862
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(COC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-6-16-11-15(12-17-5)9-7-13(8-10-15)14(2,3)4/h13,16H,6-12H2,1-5H3
InChIKeyJVXISNAUUMHIRO-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine (CID 113361862) is N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine is CCNCC1(COC)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is JVXISNAUUMHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-16-11-15(12-17-5)9-7-13(8-10-15)14(2,3)4/h13,16H,6-12H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine?
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 113361862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).