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

C14H29NO — CID 112591475

IUPACN-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine
SMILESCNCC1(CCOC(C)(C)C)CCCCC1
InChIInChI=1S/C14H29NO/c1-13(2,3)16-11-10-14(12-15-4)8-6-5-7-9-14/h15H,5-12H2,1-4H3
InChIKeyCZTRYVUJEMZQNL-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds5

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

N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine (PubChem CID 112591475) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine
PubChem CID112591475
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine
SMILESCNCC1(CCOC(C)(C)C)CCCCC1
InChIInChI=1S/C14H29NO/c1-13(2,3)16-11-10-14(12-15-4)8-6-5-7-9-14/h15H,5-12H2,1-4H3
InChIKeyCZTRYVUJEMZQNL-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine
CID 112591476
N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine
CID 62725178
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
CID 106456830
[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
1-(1-ethylcyclohexyl)-N-methylmethanamine;formaldehyde
CID 143085262
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-ol
CID 130445471
1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 62724580
1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
CID 70930204
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456986

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine (CID 112591475) is N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine is CNCC1(CCOC(C)(C)C)CCCCC1.
What is the InChIKey of N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine?
The InChIKey is CZTRYVUJEMZQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)16-11-10-14(12-15-4)8-6-5-7-9-14/h15H,5-12H2,1-4H3.
What are the key properties of N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine?
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 112591475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).