N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine

C17H35NO2 — CID 115942700

IUPACN-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
SMILESCC1CCCC(CNC(C)C)(OCCOC(C)(C)C)C1
InChIInChI=1S/C17H35NO2/c1-14(2)18-13-17(9-7-8-15(3)12-17)20-11-10-19-16(4,5)6/h14-15,18H,7-13H2,1-6H3
InChIKeyIAQCNVPEDMQYMW-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.77
Rot. Bonds7

About N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine

N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine (PubChem CID 115942700) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
PubChem CID115942700
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
SMILESCC1CCCC(CNC(C)C)(OCCOC(C)(C)C)C1
InChIInChI=1S/C17H35NO2/c1-14(2)18-13-17(9-7-8-15(3)12-17)20-11-10-19-16(4,5)6/h14-15,18H,7-13H2,1-6H3
InChIKeyIAQCNVPEDMQYMW-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.77
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

(1,4-Dioxan-2-ylmethyl)(7-methoxy-3,7-dimethyloctyl)amine
CID 45933228
N-[[3-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110440
N-[[3-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine
CID 66277450
N-[[1-(2,2-difluoroethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 82005517
2-methyl-N-[[3-methyl-1-(4,4,4-trifluorobutoxy)cyclohexyl]methyl]propan-2-amine
CID 82783522
N-[[3-methyl-1-(4,4,4-trifluorobutoxy)cyclohexyl]methyl]propan-2-amine
CID 82791703
N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]propan-2-amine
CID 82958920
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 116768401
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 116768416
1-(1-ethoxy-3-methylcyclohexyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 116768498
N-[[4-methyl-1-(2-propan-2-yloxyethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036193
N-[[4-ethyl-1-(2-propan-2-yloxyethoxy)cyclohexyl]methyl]ethanamine
CID 55036194

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine (CID 115942700) is N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine is CC1CCCC(CNC(C)C)(OCCOC(C)(C)C)C1.
What is the InChIKey of N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine?
The InChIKey is IAQCNVPEDMQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-14(2)18-13-17(9-7-8-15(3)12-17)20-11-10-19-16(4,5)6/h14-15,18H,7-13H2,1-6H3.
What are the key properties of N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine?
N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine has a molecular weight of 285.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 115942700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).