N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine

C17H35NO2 — CID 115942646

IUPACN-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCCOC(C)(C)C)CCC(C)CC1
InChIInChI=1S/C17H35NO2/c1-6-11-18-14-17(9-7-15(2)8-10-17)20-13-12-19-16(3,4)5/h15,18H,6-14H2,1-5H3
InChIKeyHMBYNXATELNHSU-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.77
Rot. Bonds8

About N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine

N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine (PubChem CID 115942646) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine
PubChem CID115942646
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCCOC(C)(C)C)CCC(C)CC1
InChIInChI=1S/C17H35NO2/c1-6-11-18-14-17(9-7-15(2)8-10-17)20-13-12-19-16(3,4)5/h15,18H,6-14H2,1-5H3
InChIKeyHMBYNXATELNHSU-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine (CID 115942646) is N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine is CCCNCC1(OCCOC(C)(C)C)CCC(C)CC1.
What is the InChIKey of N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine?
The InChIKey is HMBYNXATELNHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-6-11-18-14-17(9-7-15(2)8-10-17)20-13-12-19-16(3,4)5/h15,18H,6-14H2,1-5H3.
What are the key properties of N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine?
N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 115942646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).