4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride

C9H20ClNO — CID 66642763

IUPAC4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride
SMILESCC(C)C1(O)CCC(N)CC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-7(2)9(11)5-3-8(10)4-6-9;/h7-8,11H,3-6,10H2,1-2H3;1H
InChIKeyXMMKAIYVLXULQZ-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.70
Rot. Bonds1

About 4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride

4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride (PubChem CID 66642763) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride
PubChem CID66642763
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride
SMILESCC(C)C1(O)CCC(N)CC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-7(2)9(11)5-3-8(10)4-6-9;/h7-8,11H,3-6,10H2,1-2H3;1H
InChIKeyXMMKAIYVLXULQZ-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride (CID 66642763) is 4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride is CC(C)C1(O)CCC(N)CC1.Cl.
What is the InChIKey of 4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride?
The InChIKey is XMMKAIYVLXULQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-7(2)9(11)5-3-8(10)4-6-9;/h7-8,11H,3-6,10H2,1-2H3;1H.
What are the key properties of 4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride?
4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-ylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 66642763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).