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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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).