N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H25N3O — CID 12857633

IUPACN-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOc1ccnc(NCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C14H25N3O/c1-11(2)17(12(3)4)9-8-16-14-10-13(18-5)6-7-15-14/h6-7,10-12H,8-9H2,1-5H3,(H,15,16)
InChIKeyAPPWWIUGJSTIDI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.62
Rot. Bonds7

About N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 12857633) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID12857633
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOc1ccnc(NCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C14H25N3O/c1-11(2)17(12(3)4)9-8-16-14-10-13(18-5)6-7-15-14/h6-7,10-12H,8-9H2,1-5H3,(H,15,16)
InChIKeyAPPWWIUGJSTIDI-UHFFFAOYSA-N
XLogP2.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)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-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 12857633) is N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is COc1ccnc(NCCN(C(C)C)C(C)C)c1.
What is the InChIKey of N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is APPWWIUGJSTIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17(12(3)4)9-8-16-14-10-13(18-5)6-7-15-14/h6-7,10-12H,8-9H2,1-5H3,(H,15,16).
What are the key properties of N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 251.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 12857633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).