N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine

C15H31NO2 — CID 112590092

IUPACN-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine
SMILESCC(C)(C)OCCOCCCNC1CCCCC1
InChIInChI=1S/C15H31NO2/c1-15(2,3)18-13-12-17-11-7-10-16-14-8-5-4-6-9-14/h14,16H,4-13H2,1-3H3
InChIKeyZFNMAWSXSLKCKL-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.13
Rot. Bonds8

About N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine

N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine (PubChem CID 112590092) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine
PubChem CID112590092
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine
SMILESCC(C)(C)OCCOCCCNC1CCCCC1
InChIInChI=1S/C15H31NO2/c1-15(2,3)18-13-12-17-11-7-10-16-14-8-5-4-6-9-14/h14,16H,4-13H2,1-3H3
InChIKeyZFNMAWSXSLKCKL-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112587431
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine
CID 62597444
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
O-[3-(cyclohexylamino)propyl]hydroxylamine
CID 139932359
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
N-(3-prop-2-enoxypropyl)cyclohexanamine
CID 62570820

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine?
The IUPAC name of N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine (CID 112590092) is N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine.
What is the SMILES notation for N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine?
The canonical SMILES for N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine is CC(C)(C)OCCOCCCNC1CCCCC1.
What is the InChIKey of N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine?
The InChIKey is ZFNMAWSXSLKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-15(2,3)18-13-12-17-11-7-10-16-14-8-5-4-6-9-14/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine?
N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine has a molecular weight of 257.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine is sourced from PubChem (CID 112590092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).