5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine

C12H21N3O — CID 104534857

IUPAC5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine
SMILESCCCC(COC)Nc1cncc(NC)c1
InChIInChI=1S/C12H21N3O/c1-4-5-10(9-16-3)15-12-6-11(13-2)7-14-8-12/h6-8,10,13,15H,4-5,9H2,1-3H3
InChIKeyLAXDDIGMYMAWCW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.35
Rot. Bonds7

About 5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine

5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104534857) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine
PubChem CID104534857
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine
SMILESCCCC(COC)Nc1cncc(NC)c1
InChIInChI=1S/C12H21N3O/c1-4-5-10(9-16-3)15-12-6-11(13-2)7-14-8-12/h6-8,10,13,15H,4-5,9H2,1-3H3
InChIKeyLAXDDIGMYMAWCW-UHFFFAOYSA-N
XLogP2.35
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxybutan-2-yl)-5-methylpyridin-3-amine
CID 115922303
5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104533936
5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534853
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
5-(1-methoxypropan-2-yloxy)-N-methylpyridin-3-amine
CID 104536802
5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104533784
methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
CID 66458303
5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 113424095
3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534908
5-bromo-3-chloro-N-(1-methoxypentan-2-yl)pyridin-2-amine
CID 103582537
3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine
CID 79535461
6-ethyl-4-N-(1-methoxypentan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328231

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine (CID 104534857) is 5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine is CCCC(COC)Nc1cncc(NC)c1.
What is the InChIKey of 5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is LAXDDIGMYMAWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-10(9-16-3)15-12-6-11(13-2)7-14-8-12/h6-8,10,13,15H,4-5,9H2,1-3H3.
What are the key properties of 5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine?
5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104534857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).