N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine

C15H31NO — CID 112591476

IUPACN-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CCOC(C)(C)C)CCCCC1
InChIInChI=1S/C15H31NO/c1-5-16-13-15(9-7-6-8-10-15)11-12-17-14(2,3)4/h16H,5-13H2,1-4H3
InChIKeyQEVVTXGVJORGQA-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds6

About N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine

N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine (PubChem CID 112591476) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine
PubChem CID112591476
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CCOC(C)(C)C)CCCCC1
InChIInChI=1S/C15H31NO/c1-5-16-13-15(9-7-6-8-10-15)11-12-17-14(2,3)4/h16H,5-13H2,1-4H3
InChIKeyQEVVTXGVJORGQA-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine
CID 112591475
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclobutyl]methanol
CID 112592330
[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
CID 113359626
N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566642
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[[1-(2-propoxyethyl)cyclopropyl]methyl]ethanamine
CID 106457012
N-[[1-(ethoxymethyl)cyclopentyl]methyl]ethanamine
CID 103984503
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-ol
CID 130445471
1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
CID 70930204
N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine
CID 62724223

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine (CID 112591476) is N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine is CCNCC1(CCOC(C)(C)C)CCCCC1.
What is the InChIKey of N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine?
The InChIKey is QEVVTXGVJORGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-16-13-15(9-7-6-8-10-15)11-12-17-14(2,3)4/h16H,5-13H2,1-4H3.
What are the key properties of N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine?
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 112591476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).