3-cyclopentyloxycyclohexa-2,4-dien-1-amine

C11H17NO — CID 89073728

IUPAC3-cyclopentyloxycyclohexa-2,4-dien-1-amine
SMILESNC1C=C(OC2CCCC2)C=CC1
InChIInChI=1S/C11H17NO/c12-9-4-3-7-11(8-9)13-10-5-1-2-6-10/h3,7-10H,1-2,4-6,12H2
InChIKeyMPYXDGNETRIKCN-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.12
Rot. Bonds2

About 3-cyclopentyloxycyclohexa-2,4-dien-1-amine

3-cyclopentyloxycyclohexa-2,4-dien-1-amine (PubChem CID 89073728) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-cyclopentyloxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-cyclopentyloxycyclohexa-2,4-dien-1-amine
PubChem CID89073728
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-cyclopentyloxycyclohexa-2,4-dien-1-amine
SMILESNC1C=C(OC2CCCC2)C=CC1
InChIInChI=1S/C11H17NO/c12-9-4-3-7-11(8-9)13-10-5-1-2-6-10/h3,7-10H,1-2,4-6,12H2
InChIKeyMPYXDGNETRIKCN-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-oxepin-7-ylidene)butan-2-amine
CID 57009658
4-Ethoxycyclohexa-2,4-dien-1-amine
CID 67819232
4-Cyclopentyloxycyclohexa-2,4-dien-1-amine
CID 68200170
4-(Oxan-2-ylmethoxy)cyclohexa-2,4-dien-1-amine
CID 70974438
4-Cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine
CID 70974500
4-Cyclopentyloxy-2,3-dimethylcyclohexa-2,4-dien-1-amine
CID 71040283
4-Cyclohexyloxycyclohexa-2,4-dien-1-amine
CID 89073629
3-Cyclohexyloxycyclohexa-2,4-dien-1-amine
CID 89073630
4-(Oxan-4-yloxy)cyclohexa-2,4-dien-1-amine
CID 89073725
4-Cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine
CID 89073833
4-Butoxycyclohexa-2,4-dien-1-amine
CID 89073852
4-(Oxolan-3-yloxy)cyclohexa-2,4-dien-1-amine
CID 89074129

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-cyclopentyloxycyclohexa-2,4-dien-1-amine (CID 89073728) is 3-cyclopentyloxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-cyclopentyloxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-cyclopentyloxycyclohexa-2,4-dien-1-amine is NC1C=C(OC2CCCC2)C=CC1.
What is the InChIKey of 3-cyclopentyloxycyclohexa-2,4-dien-1-amine?
The InChIKey is MPYXDGNETRIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-9-4-3-7-11(8-9)13-10-5-1-2-6-10/h3,7-10H,1-2,4-6,12H2.
What are the key properties of 3-cyclopentyloxycyclohexa-2,4-dien-1-amine?
3-cyclopentyloxycyclohexa-2,4-dien-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89073728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).