4-(4-aminocyclohexyl)oxycyclohexan-1-amine

C12H24N2O — CID 22011695

IUPAC4-(4-aminocyclohexyl)oxycyclohexan-1-amine
SMILESNC1CCC(OC2CCC(N)CC2)CC1
InChIInChI=1S/C12H24N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2
InChIKeySZEWALYSKVMFAD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds2

About 4-(4-aminocyclohexyl)oxycyclohexan-1-amine

4-(4-aminocyclohexyl)oxycyclohexan-1-amine (PubChem CID 22011695) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)oxycyclohexan-1-amine
PubChem CID22011695
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(4-aminocyclohexyl)oxycyclohexan-1-amine
SMILESNC1CCC(OC2CCC(N)CC2)CC1
InChIInChI=1S/C12H24N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2
InChIKeySZEWALYSKVMFAD-UHFFFAOYSA-N
XLogP1.54
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)oxycyclohexan-1-amine?
The IUPAC name of 4-(4-aminocyclohexyl)oxycyclohexan-1-amine (CID 22011695) is 4-(4-aminocyclohexyl)oxycyclohexan-1-amine.
What is the SMILES notation for 4-(4-aminocyclohexyl)oxycyclohexan-1-amine?
The canonical SMILES for 4-(4-aminocyclohexyl)oxycyclohexan-1-amine is NC1CCC(OC2CCC(N)CC2)CC1.
What is the InChIKey of 4-(4-aminocyclohexyl)oxycyclohexan-1-amine?
The InChIKey is SZEWALYSKVMFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2.
What are the key properties of 4-(4-aminocyclohexyl)oxycyclohexan-1-amine?
4-(4-aminocyclohexyl)oxycyclohexan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)oxycyclohexan-1-amine is sourced from PubChem (CID 22011695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).