N-cyclohexyl-N-methylcyclohexanamine;propanoic acid

C16H31NO2 — CID 173098738

IUPACN-cyclohexyl-N-methylcyclohexanamine;propanoic acid
SMILESCCC(=O)O.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C3H6O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3(4)5/h12-13H,2-11H2,1H3;2H2,1H3,(H,4,5)
InChIKeyHZOYRJHXMAFILJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.06
Rot. Bonds3

About N-cyclohexyl-N-methylcyclohexanamine;propanoic acid

N-cyclohexyl-N-methylcyclohexanamine;propanoic acid (PubChem CID 173098738) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-cyclohexyl-N-methylcyclohexanamine;propanoic acid.

Molecular Properties

Compound NameN-cyclohexyl-N-methylcyclohexanamine;propanoic acid
PubChem CID173098738
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-cyclohexyl-N-methylcyclohexanamine;propanoic acid
SMILESCCC(=O)O.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C3H6O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3(4)5/h12-13H,2-11H2,1H3;2H2,1H3,(H,4,5)
InChIKeyHZOYRJHXMAFILJ-UHFFFAOYSA-N
XLogP4.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;propanoic acid?
The IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;propanoic acid (CID 173098738) is N-cyclohexyl-N-methylcyclohexanamine;propanoic acid.
What is the SMILES notation for N-cyclohexyl-N-methylcyclohexanamine;propanoic acid?
The canonical SMILES for N-cyclohexyl-N-methylcyclohexanamine;propanoic acid is CCC(=O)O.CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylcyclohexanamine;propanoic acid?
The InChIKey is HZOYRJHXMAFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C3H6O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3(4)5/h12-13H,2-11H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of N-cyclohexyl-N-methylcyclohexanamine;propanoic acid?
N-cyclohexyl-N-methylcyclohexanamine;propanoic acid has a molecular weight of 269.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylcyclohexanamine;propanoic acid is sourced from PubChem (CID 173098738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).