4-(cyclohexen-1-yloxy)cyclohexan-1-amine

C12H21NO — CID 70310456

IUPAC4-(cyclohexen-1-yloxy)cyclohexan-1-amine
SMILESNC1CCC(OC2=CCCCC2)CC1
InChIInChI=1S/C12H21NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h4,10,12H,1-3,5-9,13H2
InChIKeyGKQOZFGODBDGQB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.73
Rot. Bonds2

About 4-(cyclohexen-1-yloxy)cyclohexan-1-amine

4-(cyclohexen-1-yloxy)cyclohexan-1-amine (PubChem CID 70310456) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(cyclohexen-1-yloxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yloxy)cyclohexan-1-amine
PubChem CID70310456
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(cyclohexen-1-yloxy)cyclohexan-1-amine
SMILESNC1CCC(OC2=CCCCC2)CC1
InChIInChI=1S/C12H21NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h4,10,12H,1-3,5-9,13H2
InChIKeyGKQOZFGODBDGQB-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yloxy)cyclohexan-1-amine?
The IUPAC name of 4-(cyclohexen-1-yloxy)cyclohexan-1-amine (CID 70310456) is 4-(cyclohexen-1-yloxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(cyclohexen-1-yloxy)cyclohexan-1-amine?
The canonical SMILES for 4-(cyclohexen-1-yloxy)cyclohexan-1-amine is NC1CCC(OC2=CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexen-1-yloxy)cyclohexan-1-amine?
The InChIKey is GKQOZFGODBDGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h4,10,12H,1-3,5-9,13H2.
What are the key properties of 4-(cyclohexen-1-yloxy)cyclohexan-1-amine?
4-(cyclohexen-1-yloxy)cyclohexan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yloxy)cyclohexan-1-amine is sourced from PubChem (CID 70310456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).