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

C14H23N3O — CID 61350906

IUPACN'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCOc1c(C)cnc(CN(CCN)C2CC2)c1C
InChIInChI=1S/C14H23N3O/c1-10-8-16-13(11(2)14(10)18-3)9-17(7-6-15)12-4-5-12/h8,12H,4-7,9,15H2,1-3H3
InChIKeyYSBAVHRSIPPHQU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.63
Rot. Bonds6

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

N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 61350906) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID61350906
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCOc1c(C)cnc(CN(CCN)C2CC2)c1C
InChIInChI=1S/C14H23N3O/c1-10-8-16-13(11(2)14(10)18-3)9-17(7-6-15)12-4-5-12/h8,12H,4-7,9,15H2,1-3H3
InChIKeyYSBAVHRSIPPHQU-UHFFFAOYSA-N
XLogP1.63
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-cyclopropyl-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'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 61350906) is N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine is COc1c(C)cnc(CN(CCN)C2CC2)c1C.
What is the InChIKey of N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is YSBAVHRSIPPHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-8-16-13(11(2)14(10)18-3)9-17(7-6-15)12-4-5-12/h8,12H,4-7,9,15H2,1-3H3.
What are the key properties of N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 61350906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).