4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine

C13H21NO — CID 70974500

IUPAC4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine
SMILESCCC1=C(OC2CCCC2)C=CC(N)C1
InChIInChI=1S/C13H21NO/c1-2-10-9-11(14)7-8-13(10)15-12-5-3-4-6-12/h7-8,11-12H,2-6,9,14H2,1H3
InChIKeyMZBAMCRRPWKONF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.90
Rot. Bonds3

About 4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine

4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine (PubChem CID 70974500) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine
PubChem CID70974500
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine
SMILESCCC1=C(OC2CCCC2)C=CC(N)C1
InChIInChI=1S/C13H21NO/c1-2-10-9-11(14)7-8-13(10)15-12-5-3-4-6-12/h7-8,11-12H,2-6,9,14H2,1H3
InChIKeyMZBAMCRRPWKONF-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine (CID 70974500) is 4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine is CCC1=C(OC2CCCC2)C=CC(N)C1.
What is the InChIKey of 4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine?
The InChIKey is MZBAMCRRPWKONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-10-9-11(14)7-8-13(10)15-12-5-3-4-6-12/h7-8,11-12H,2-6,9,14H2,1H3.
What are the key properties of 4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine?
4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70974500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).