3-cyclohex-2-en-1-yloxycyclobutan-1-amine

C10H17NO — CID 114620337

IUPAC3-cyclohex-2-en-1-yloxycyclobutan-1-amine
SMILESNC1CC(OC2C=CCCC2)C1
InChIInChI=1S/C10H17NO/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h2,4,8-10H,1,3,5-7,11H2
InChIKeyNLHSFDPHZYTPGJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.60
Rot. Bonds2

About 3-cyclohex-2-en-1-yloxycyclobutan-1-amine

3-cyclohex-2-en-1-yloxycyclobutan-1-amine (PubChem CID 114620337) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yloxycyclobutan-1-amine.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yloxycyclobutan-1-amine
PubChem CID114620337
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-cyclohex-2-en-1-yloxycyclobutan-1-amine
SMILESNC1CC(OC2C=CCCC2)C1
InChIInChI=1S/C10H17NO/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h2,4,8-10H,1,3,5-7,11H2
InChIKeyNLHSFDPHZYTPGJ-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yloxycyclobutan-1-amine?
The IUPAC name of 3-cyclohex-2-en-1-yloxycyclobutan-1-amine (CID 114620337) is 3-cyclohex-2-en-1-yloxycyclobutan-1-amine.
What is the SMILES notation for 3-cyclohex-2-en-1-yloxycyclobutan-1-amine?
The canonical SMILES for 3-cyclohex-2-en-1-yloxycyclobutan-1-amine is NC1CC(OC2C=CCCC2)C1.
What is the InChIKey of 3-cyclohex-2-en-1-yloxycyclobutan-1-amine?
The InChIKey is NLHSFDPHZYTPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h2,4,8-10H,1,3,5-7,11H2.
What are the key properties of 3-cyclohex-2-en-1-yloxycyclobutan-1-amine?
3-cyclohex-2-en-1-yloxycyclobutan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yloxycyclobutan-1-amine is sourced from PubChem (CID 114620337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).