1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine

C17H26N2O — CID 174342591

IUPAC1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine
SMILESNC1(Oc2cccc(C3(N)CCCCC3)c2)CCCC1
InChIInChI=1S/C17H26N2O/c18-16(9-2-1-3-10-16)14-7-6-8-15(13-14)20-17(19)11-4-5-12-17/h6-8,13H,1-5,9-12,18-19H2
InChIKeyVKQJPLJGNTVERO-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.41
Rot. Bonds3

About 1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine

1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine (PubChem CID 174342591) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine
PubChem CID174342591
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine
SMILESNC1(Oc2cccc(C3(N)CCCCC3)c2)CCCC1
InChIInChI=1S/C17H26N2O/c18-16(9-2-1-3-10-16)14-7-6-8-15(13-14)20-17(19)11-4-5-12-17/h6-8,13H,1-5,9-12,18-19H2
InChIKeyVKQJPLJGNTVERO-UHFFFAOYSA-N
XLogP3.41
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine?
The IUPAC name of 1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine (CID 174342591) is 1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine is NC1(Oc2cccc(C3(N)CCCCC3)c2)CCCC1.
What is the InChIKey of 1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine?
The InChIKey is VKQJPLJGNTVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-16(9-2-1-3-10-16)14-7-6-8-15(13-14)20-17(19)11-4-5-12-17/h6-8,13H,1-5,9-12,18-19H2.
What are the key properties of 1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine?
1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminocyclopentyl)oxyphenyl]cyclohexan-1-amine is sourced from PubChem (CID 174342591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).