2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C16H29N3O — CID 63402670

IUPAC2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCCCCCC(C)Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C16H29N3O/c1-6-7-8-9-12(2)18-14-11-10-13(17)15(19-14)20-16(3,4)5/h10-12H,6-9,17H2,1-5H3,(H,18,19)
InChIKeyDUZWWSZLWBTUQN-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.22
Rot. Bonds7

About 2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 63402670) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID63402670
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCCCCCC(C)Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C16H29N3O/c1-6-7-8-9-12(2)18-14-11-10-13(17)15(19-14)20-16(3,4)5/h10-12H,6-9,17H2,1-5H3,(H,18,19)
InChIKeyDUZWWSZLWBTUQN-UHFFFAOYSA-N
XLogP4.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol
CID 43498929
2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63842748
2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 104827461
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79248758
6-N-octan-2-ylpyridine-2,6-diamine
CID 80648074
4-N-heptan-2-ylpyrimidine-2,4-diamine
CID 80803742
3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile
CID 103468203
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103106719
2-N-(2,2-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 103460190
3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol
CID 106155064

Frequently Asked Questions

What is the IUPAC name of 2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 63402670) is 2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CCCCCC(C)Nc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is DUZWWSZLWBTUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-7-8-9-12(2)18-14-11-10-13(17)15(19-14)20-16(3,4)5/h10-12H,6-9,17H2,1-5H3,(H,18,19).
What are the key properties of 2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 279.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 63402670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).