5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen

C17H29NO2 — CID 142389533

IUPAC5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen
SMILESNCCCCCOc1cccc(OC2CCCCC2)c1.[H][H]
InChIInChI=1S/C17H27NO2.H2/c18-12-5-2-6-13-19-16-10-7-11-17(14-16)20-15-8-3-1-4-9-15;/h7,10-11,14-15H,1-6,8-9,12-13,18H2;1H
InChIKeyNGWRTPNFNKFHQE-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.15
Rot. Bonds8

About 5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen

5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen (PubChem CID 142389533) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen
PubChem CID142389533
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen
SMILESNCCCCCOc1cccc(OC2CCCCC2)c1.[H][H]
InChIInChI=1S/C17H27NO2.H2/c18-12-5-2-6-13-19-16-10-7-11-17(14-16)20-15-8-3-1-4-9-15;/h7,10-11,14-15H,1-6,8-9,12-13,18H2;1H
InChIKeyNGWRTPNFNKFHQE-UHFFFAOYSA-N
XLogP4.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.15
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

3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
CID 43253956
N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine
CID 118760232
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
2-amino-1-(3-cyclohexyloxyphenyl)ethanol
CID 83824323
(3-methylphenoxy)cyclononane
CID 145391482
(3-ethylphenoxy)cyclooctane
CID 91220327
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
CID 155346979
(3-cyclopentyloxyphenyl)hydrazine
CID 55281400

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen?
The IUPAC name of 5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen (CID 142389533) is 5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen.
What is the SMILES notation for 5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen?
The canonical SMILES for 5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen is NCCCCCOc1cccc(OC2CCCCC2)c1.[H][H].
What is the InChIKey of 5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen?
The InChIKey is NGWRTPNFNKFHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.H2/c18-12-5-2-6-13-19-16-10-7-11-17(14-16)20-15-8-3-1-4-9-15;/h7,10-11,14-15H,1-6,8-9,12-13,18H2;1H.
What are the key properties of 5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen?
5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen has a molecular weight of 279.42 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexyloxyphenoxy)pentan-1-amine;molecular hydrogen is sourced from PubChem (CID 142389533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).