4-propan-2-yloxycyclohexan-1-amine;hydrochloride

C9H20ClNO — CID 126802734

IUPAC4-propan-2-yloxycyclohexan-1-amine;hydrochloride
SMILESCC(C)OC1CCC(N)CC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-7(2)11-9-5-3-8(10)4-6-9;/h7-9H,3-6,10H2,1-2H3;1H
InChIKeyUWFKGGNIANUYIS-UHFFFAOYSA-N
MW193.72 g/mol
LogP2.10
Rot. Bonds2

About 4-propan-2-yloxycyclohexan-1-amine;hydrochloride

4-propan-2-yloxycyclohexan-1-amine;hydrochloride (PubChem CID 126802734) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 4-propan-2-yloxycyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-propan-2-yloxycyclohexan-1-amine;hydrochloride
PubChem CID126802734
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name4-propan-2-yloxycyclohexan-1-amine;hydrochloride
SMILESCC(C)OC1CCC(N)CC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-7(2)11-9-5-3-8(10)4-6-9;/h7-9H,3-6,10H2,1-2H3;1H
InChIKeyUWFKGGNIANUYIS-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxycyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-propan-2-yloxycyclohexan-1-amine;hydrochloride (CID 126802734) is 4-propan-2-yloxycyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-propan-2-yloxycyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-propan-2-yloxycyclohexan-1-amine;hydrochloride is CC(C)OC1CCC(N)CC1.Cl.
What is the InChIKey of 4-propan-2-yloxycyclohexan-1-amine;hydrochloride?
The InChIKey is UWFKGGNIANUYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-7(2)11-9-5-3-8(10)4-6-9;/h7-9H,3-6,10H2,1-2H3;1H.
What are the key properties of 4-propan-2-yloxycyclohexan-1-amine;hydrochloride?
4-propan-2-yloxycyclohexan-1-amine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxycyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 126802734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).