N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid

C18H35NO2 — CID 68631042

IUPACN-cyclohexyl-N-methylcyclohexanamine;pentanoic acid
SMILESCCCCC(=O)O.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C5H10O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3-4-5(6)7/h12-13H,2-11H2,1H3;2-4H2,1H3,(H,6,7)
InChIKeyPLNVLECVVODEEA-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.84
Rot. Bonds5

About N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid

N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid (PubChem CID 68631042) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid.

Molecular Properties

Compound NameN-cyclohexyl-N-methylcyclohexanamine;pentanoic acid
PubChem CID68631042
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-cyclohexyl-N-methylcyclohexanamine;pentanoic acid
SMILESCCCCC(=O)O.CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N.C5H10O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3-4-5(6)7/h12-13H,2-11H2,1H3;2-4H2,1H3,(H,6,7)
InChIKeyPLNVLECVVODEEA-UHFFFAOYSA-N
XLogP4.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.84
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;pentanoic acid?
The IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid (CID 68631042) is N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid.
What is the SMILES notation for N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid?
The canonical SMILES for N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid is CCCCC(=O)O.CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid?
The InChIKey is PLNVLECVVODEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C5H10O2/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-3-4-5(6)7/h12-13H,2-11H2,1H3;2-4H2,1H3,(H,6,7).
What are the key properties of N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid?
N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid has a molecular weight of 297.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid is sourced from PubChem (CID 68631042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).