4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride

C14H30Cl2N2O2 — CID 44557964

IUPAC4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride
SMILESCOC1CC(C2CCC(N)C(OC)C2)CCC1N.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C14H28N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h9-14H,3-8,15-16H2,1-2H3;2*1H
InChIKeyYZKKKFKZCIVARG-UHFFFAOYSA-N
MW329.31 g/mol
LogP-4.50
Rot. Bonds3

About 4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride

4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride (PubChem CID 44557964) has the molecular formula C14H30Cl2N2O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride.

Molecular Properties

Compound Name4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride
PubChem CID44557964
Molecular FormulaC14H30Cl2N2O2
Molecular Weight329.31 g/mol
Exact Mass328.17
IUPAC Name4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride
SMILESCOC1CC(C2CCC(N)C(OC)C2)CCC1N.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C14H28N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h9-14H,3-8,15-16H2,1-2H3;2*1H
InChIKeyYZKKKFKZCIVARG-UHFFFAOYSA-N
XLogP-4.50
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 5-4.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride?
The IUPAC name of 4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride (CID 44557964) is 4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride.
What is the SMILES notation for 4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride?
The canonical SMILES for 4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride is COC1CC(C2CCC(N)C(OC)C2)CCC1N.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of 4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride?
The InChIKey is YZKKKFKZCIVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h9-14H,3-8,15-16H2,1-2H3;2*1H.
What are the key properties of 4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride?
4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride has a molecular weight of 329.31 g/mol, XLogP of -4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxycyclohexyl)-2-methoxycyclohexan-1-amine;hydron;dichloride is sourced from PubChem (CID 44557964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).