N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine

C15H31NO2 — CID 112587404

IUPACN-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine
SMILESCNC1CCCCCCC1OCCOC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-15(2,3)18-12-11-17-14-10-8-6-5-7-9-13(14)16-4/h13-14,16H,5-12H2,1-4H3
InChIKeyPIBPFXZDKFYWHH-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine

N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine (PubChem CID 112587404) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine
PubChem CID112587404
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine
SMILESCNC1CCCCCCC1OCCOC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-15(2,3)18-12-11-17-14-10-8-6-5-7-9-13(14)16-4/h13-14,16H,5-12H2,1-4H3
InChIKeyPIBPFXZDKFYWHH-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol
CID 106939133
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol
CID 115942497
1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane
CID 114775044
N-methyl-2-(4,4,4-trifluorobutoxy)cycloheptan-1-amine
CID 82788736
2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
CID 104675029
4-[2-(methylamino)cyclohexyl]oxybutan-1-ol
CID 106939139
2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine
CID 82004539
N,2,2-trimethyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentan-1-amine
CID 112587342
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213
N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
CID 106727010
N-cyclopropyl-3-[2-(methylamino)cyclohexyl]oxypropanamide
CID 102633353
1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol
CID 106941019

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine?
The IUPAC name of N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine (CID 112587404) is N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine.
What is the SMILES notation for N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine?
The canonical SMILES for N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine is CNC1CCCCCCC1OCCOC(C)(C)C.
What is the InChIKey of N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine?
The InChIKey is PIBPFXZDKFYWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-15(2,3)18-12-11-17-14-10-8-6-5-7-9-13(14)16-4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine?
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine is sourced from PubChem (CID 112587404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).