butanoic acid;N-cyclohexyl-N-methylcyclohexanamine

C17H33NO2 — CID 173098809

IUPACbutanoic acid;N-cyclohexyl-N-methylcyclohexanamine
SMILESCCCC(=O)O.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C4H8O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3-4(5)6/h12-13H,2-11H2,1H3;2-3H2,1H3,(H,5,6)
InChIKeyOEFQKUUKXYCZOZ-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.45
Rot. Bonds4

About butanoic acid;N-cyclohexyl-N-methylcyclohexanamine

butanoic acid;N-cyclohexyl-N-methylcyclohexanamine (PubChem CID 173098809) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is butanoic acid;N-cyclohexyl-N-methylcyclohexanamine.

Molecular Properties

Compound Namebutanoic acid;N-cyclohexyl-N-methylcyclohexanamine
PubChem CID173098809
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namebutanoic acid;N-cyclohexyl-N-methylcyclohexanamine
SMILESCCCC(=O)O.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C4H8O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3-4(5)6/h12-13H,2-11H2,1H3;2-3H2,1H3,(H,5,6)
InChIKeyOEFQKUUKXYCZOZ-UHFFFAOYSA-N
XLogP4.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butanoic acid;N-cyclohexyl-N-methylcyclohexanamine?
The IUPAC name of butanoic acid;N-cyclohexyl-N-methylcyclohexanamine (CID 173098809) is butanoic acid;N-cyclohexyl-N-methylcyclohexanamine.
What is the SMILES notation for butanoic acid;N-cyclohexyl-N-methylcyclohexanamine?
The canonical SMILES for butanoic acid;N-cyclohexyl-N-methylcyclohexanamine is CCCC(=O)O.CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of butanoic acid;N-cyclohexyl-N-methylcyclohexanamine?
The InChIKey is OEFQKUUKXYCZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C4H8O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3-4(5)6/h12-13H,2-11H2,1H3;2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;N-cyclohexyl-N-methylcyclohexanamine?
butanoic acid;N-cyclohexyl-N-methylcyclohexanamine has a molecular weight of 283.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;N-cyclohexyl-N-methylcyclohexanamine is sourced from PubChem (CID 173098809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).