N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine

C8H13N3O — CID 83826958

IUPACN'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1cccnc1NCCN
InChIInChI=1S/C8H13N3O/c1-12-7-3-2-5-10-8(7)11-6-4-9/h2-3,5H,4,6,9H2,1H3,(H,10,11)
InChIKeyHOMSXDGOWXWVNF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.46
Rot. Bonds4

About N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine

N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine (PubChem CID 83826958) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
PubChem CID83826958
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1cccnc1NCCN
InChIInChI=1S/C8H13N3O/c1-12-7-3-2-5-10-8(7)11-6-4-9/h2-3,5H,4,6,9H2,1H3,(H,10,11)
InChIKeyHOMSXDGOWXWVNF-UHFFFAOYSA-N
XLogP0.46
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
CID 106430241
N-(3-cyclopentylpropyl)-3-methoxypyridin-2-amine
CID 114137239
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 113370918
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547904
3-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
CID 115868201

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine (CID 83826958) is N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine is COc1cccnc1NCCN.
What is the InChIKey of N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is HOMSXDGOWXWVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-12-7-3-2-5-10-8(7)11-6-4-9/h2-3,5H,4,6,9H2,1H3,(H,10,11).
What are the key properties of N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine?
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 167.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 83826958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).