N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine

C15H25N3O — CID 102875144

IUPACN'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCOc1c(C)cnc(CN(CCN)C2CCC2)c1C
InChIInChI=1S/C15H25N3O/c1-11-9-17-14(12(2)15(11)19-3)10-18(8-7-16)13-5-4-6-13/h9,13H,4-8,10,16H2,1-3H3
InChIKeyXGQFVICSLPQSCD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.02
Rot. Bonds6

About N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine

N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 102875144) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID102875144
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCOc1c(C)cnc(CN(CCN)C2CCC2)c1C
InChIInChI=1S/C15H25N3O/c1-11-9-17-14(12(2)15(11)19-3)10-18(8-7-16)13-5-4-6-13/h9,13H,4-8,10,16H2,1-3H3
InChIKeyXGQFVICSLPQSCD-UHFFFAOYSA-N
XLogP2.02
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-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 N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 102875144) is N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine is COc1c(C)cnc(CN(CCN)C2CCC2)c1C.
What is the InChIKey of N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is XGQFVICSLPQSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-9-17-14(12(2)15(11)19-3)10-18(8-7-16)13-5-4-6-13/h9,13H,4-8,10,16H2,1-3H3.
What are the key properties of N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 263.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 102875144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).