4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine

C17H29N3O — CID 79112586

IUPAC4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
SMILESCCN(Cc1ncc(C)c(OC)c1C)C1CCC(N)CC1
InChIInChI=1S/C17H29N3O/c1-5-20(15-8-6-14(18)7-9-15)11-16-13(3)17(21-4)12(2)10-19-16/h10,14-15H,5-9,11,18H2,1-4H3
InChIKeyCYWAQZZVGUXVGS-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.80
Rot. Bonds5

About 4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine (PubChem CID 79112586) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
PubChem CID79112586
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
SMILESCCN(Cc1ncc(C)c(OC)c1C)C1CCC(N)CC1
InChIInChI=1S/C17H29N3O/c1-5-20(15-8-6-14(18)7-9-15)11-16-13(3)17(21-4)12(2)10-19-16/h10,14-15H,5-9,11,18H2,1-4H3
InChIKeyCYWAQZZVGUXVGS-UHFFFAOYSA-N
XLogP2.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine 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-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine (CID 79112586) is 4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine is CCN(Cc1ncc(C)c(OC)c1C)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is CYWAQZZVGUXVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-20(15-8-6-14(18)7-9-15)11-16-13(3)17(21-4)12(2)10-19-16/h10,14-15H,5-9,11,18H2,1-4H3.
What are the key properties of 4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79112586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).