N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine

C20H32N2O2 — CID 19032509

IUPACN-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine
SMILESC=CCOCc1nccc(NC2CCC(C(C)(C)C)CC2)c1OC
InChIInChI=1S/C20H32N2O2/c1-6-13-24-14-18-19(23-5)17(11-12-21-18)22-16-9-7-15(8-10-16)20(2,3)4/h6,11-12,15-16H,1,7-10,13-14H2,2-5H3,(H,21,22)
InChIKeyLAKNLKPIIQBHDV-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.81
Rot. Bonds7

About N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine

N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine (PubChem CID 19032509) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine
PubChem CID19032509
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine
SMILESC=CCOCc1nccc(NC2CCC(C(C)(C)C)CC2)c1OC
InChIInChI=1S/C20H32N2O2/c1-6-13-24-14-18-19(23-5)17(11-12-21-18)22-16-9-7-15(8-10-16)20(2,3)4/h6,11-12,15-16H,1,7-10,13-14H2,2-5H3,(H,21,22)
InChIKeyLAKNLKPIIQBHDV-UHFFFAOYSA-N
XLogP4.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-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

Related Compounds

4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one
CID 19032545
3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine
CID 19032535
3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine
CID 19694045
4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine
CID 54349060
N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline
CID 63477895
4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one
CID 19693951
4-tert-butyl-N-[2-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65089478
N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline
CID 4711830
4-tert-butyl-N-(2,3,4-trifluorophenyl)cycloheptan-1-amine
CID 65090950
ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate
CID 19032571
4-tert-butyl-N-(2,3-difluorophenyl)cycloheptan-1-amine
CID 65089879
3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678526

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine (CID 19032509) is N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine is C=CCOCc1nccc(NC2CCC(C(C)(C)C)CC2)c1OC.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine?
The InChIKey is LAKNLKPIIQBHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-6-13-24-14-18-19(23-5)17(11-12-21-18)22-16-9-7-15(8-10-16)20(2,3)4/h6,11-12,15-16H,1,7-10,13-14H2,2-5H3,(H,21,22).
What are the key properties of N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine?
N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine has a molecular weight of 332.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine is sourced from PubChem (CID 19032509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).