N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one

C18H34N2O — CID 131739968

IUPACN-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one
SMILESCN(C1CCCCC1)C1CCCCC1.CN1CCCC1=O
InChIInChI=1S/C13H25N.C5H9NO/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-6-4-2-3-5(6)7/h12-13H,2-11H2,1H3;2-4H2,1H3
InChIKeyPUHCJJZTZNBWSG-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.82
Rot. Bonds2

About N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one

N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one (PubChem CID 131739968) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one.

Molecular Properties

Compound NameN-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one
PubChem CID131739968
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one
SMILESCN(C1CCCCC1)C1CCCCC1.CN1CCCC1=O
InChIInChI=1S/C13H25N.C5H9NO/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-6-4-2-3-5(6)7/h12-13H,2-11H2,1H3;2-4H2,1H3
InChIKeyPUHCJJZTZNBWSG-UHFFFAOYSA-N
XLogP3.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one?
The IUPAC name of N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one (CID 131739968) is N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one.
What is the SMILES notation for N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one?
The canonical SMILES for N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one is CN(C1CCCCC1)C1CCCCC1.CN1CCCC1=O.
What is the InChIKey of N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one?
The InChIKey is PUHCJJZTZNBWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C5H9NO/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-6-4-2-3-5(6)7/h12-13H,2-11H2,1H3;2-4H2,1H3.
What are the key properties of N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one?
N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one has a molecular weight of 294.48 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylcyclohexanamine;1-methylpyrrolidin-2-one is sourced from PubChem (CID 131739968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).