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

C19H30N2O — CID 153338589

IUPACN-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
SMILESCc1cccnc1C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C19H30N2O/c1-15-3-2-11-21-19(15)17-6-4-16(5-7-17)8-12-20-18-9-13-22-14-10-18/h2-3,11,16-18,20H,4-10,12-14H2,1H3
InChIKeyWLDICENREBABEW-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.82
Rot. Bonds5

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

N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine (PubChem CID 153338589) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
PubChem CID153338589
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
SMILESCc1cccnc1C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C19H30N2O/c1-15-3-2-11-21-19(15)17-6-4-16(5-7-17)8-12-20-18-9-13-22-14-10-18/h2-3,11,16-18,20H,4-10,12-14H2,1H3
InChIKeyWLDICENREBABEW-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine (CID 153338589) is N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine is Cc1cccnc1C1CCC(CCNC2CCOCC2)CC1.
What is the InChIKey of N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The InChIKey is WLDICENREBABEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15-3-2-11-21-19(15)17-6-4-16(5-7-17)8-12-20-18-9-13-22-14-10-18/h2-3,11,16-18,20H,4-10,12-14H2,1H3.
What are the key properties of N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine has a molecular weight of 302.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methyl-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine is sourced from PubChem (CID 153338589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).