N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine

C9H19NO2 — CID 141367738

IUPACN,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1(N(O)O)CCCCC1
InChIInChI=1S/C9H19NO2/c1-8(2)9(10(11)12)6-4-3-5-7-9/h8,11-12H,3-7H2,1-2H3
InChIKeyPSFGMICBFWDHLI-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.43
Rot. Bonds2

About N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine

N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine (PubChem CID 141367738) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine
PubChem CID141367738
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1(N(O)O)CCCCC1
InChIInChI=1S/C9H19NO2/c1-8(2)9(10(11)12)6-4-3-5-7-9/h8,11-12H,3-7H2,1-2H3
InChIKeyPSFGMICBFWDHLI-UHFFFAOYSA-N
XLogP2.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-aminoethyl)-N,N-dimethylcycloheptan-1-amine
CID 79081577
1,1-di(propan-2-yl)cycloheptane
CID 23589303
1-(1-propan-2-ylcyclohexyl)ethanol
CID 69271038
2-methylpropanoic acid;1-propan-2-ylcyclohexan-1-ol
CID 174748653
1-[1-(diethylamino)cyclopentyl]ethanol
CID 79070716
[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol
CID 62271498
1-[1-(1-hydroxyethyl)cyclohexyl]ethanol
CID 19424468
1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol
CID 101185270
1-[methyl(propan-2-yl)amino]cyclooctane-1-carboxylic acid
CID 82236388
ethane;1-propan-2-ylcyclohexane-1-thiol
CID 144560520
2-[1-(3-methylbutyl)cycloheptyl]prop-2-enoic acid
CID 141276090
[1-[[bis(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62270231

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine (CID 141367738) is N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine is CC(C)C1(N(O)O)CCCCC1.
What is the InChIKey of N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine?
The InChIKey is PSFGMICBFWDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)9(10(11)12)6-4-3-5-7-9/h8,11-12H,3-7H2,1-2H3.
What are the key properties of N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine?
N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-1-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 141367738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).