4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine

C20H32N2O — CID 153338584

IUPAC4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
SMILESCc1cccnc1C1CCC(CCNC2(C)CCOCC2)CC1
InChIInChI=1S/C20H32N2O/c1-16-4-3-12-21-19(16)18-7-5-17(6-8-18)9-13-22-20(2)10-14-23-15-11-20/h3-4,12,17-18,22H,5-11,13-15H2,1-2H3
InChIKeyVBPBLEMXXIWBSQ-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.21
Rot. Bonds5

About 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine

4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine (PubChem CID 153338584) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
PubChem CID153338584
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
SMILESCc1cccnc1C1CCC(CCNC2(C)CCOCC2)CC1
InChIInChI=1S/C20H32N2O/c1-16-4-3-12-21-19(16)18-7-5-17(6-8-18)9-13-22-20(2)10-14-23-15-11-20/h3-4,12,17-18,22H,5-11,13-15H2,1-2H3
InChIKeyVBPBLEMXXIWBSQ-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine (CID 153338584) is 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine is Cc1cccnc1C1CCC(CCNC2(C)CCOCC2)CC1.
What is the InChIKey of 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The InChIKey is VBPBLEMXXIWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-16-4-3-12-21-19(16)18-7-5-17(6-8-18)9-13-22-20(2)10-14-23-15-11-20/h3-4,12,17-18,22H,5-11,13-15H2,1-2H3.
What are the key properties of 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine has a molecular weight of 316.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine is sourced from PubChem (CID 153338584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).