N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine

C12H21N3O — CID 114937202

IUPACN-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCCC(C)NC(CN)c1ccc(OC)nc1
InChIInChI=1S/C12H21N3O/c1-4-9(2)15-11(7-13)10-5-6-12(16-3)14-8-10/h5-6,8-9,11,15H,4,7,13H2,1-3H3
InChIKeyVOAWYICYCRSEHH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.48
Rot. Bonds6

About N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine

N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine (PubChem CID 114937202) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
PubChem CID114937202
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCCC(C)NC(CN)c1ccc(OC)nc1
InChIInChI=1S/C12H21N3O/c1-4-9(2)15-11(7-13)10-5-6-12(16-3)14-8-10/h5-6,8-9,11,15H,4,7,13H2,1-3H3
InChIKeyVOAWYICYCRSEHH-UHFFFAOYSA-N
XLogP1.48
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-Methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine, (2S,4E)-
CID 10262406
6-Methoxy-3-pyridinylamine
CID 81121
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-3-pyridinyl)methyl)amino)-6-methyl-
CID 454346
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
(4-Methoxy-phenyl)-pyridin-3-ylmethyl-amine
CID 742765
[(6-Methoxypyridin-2-yl)methyl](methyl)amine
CID 58863294
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
(1R,6S)-3-(6-methoxypyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane
CID 16099075
(4-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride
CID 2960264
N-[2-(dimethylamino)ethyl]-N'-(3-methoxyphenyl)-N-(1-pyridin-3-ylethyl)thiourea
CID 3387571

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine (CID 114937202) is N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine is CCC(C)NC(CN)c1ccc(OC)nc1.
What is the InChIKey of N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is VOAWYICYCRSEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-9(2)15-11(7-13)10-5-6-12(16-3)14-8-10/h5-6,8-9,11,15H,4,7,13H2,1-3H3.
What are the key properties of N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 114937202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).