2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C17H29N3O — CID 78943781

IUPAC2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC(C)CCN(c1ccc(N)c(OC(C)(C)C)n1)C1CC1
InChIInChI=1S/C17H29N3O/c1-12(2)10-11-20(13-6-7-13)15-9-8-14(18)16(19-15)21-17(3,4)5/h8-9,12-13H,6-7,10-11,18H2,1-5H3
InChIKeyMCNYFLAREOAMOZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.86
Rot. Bonds6

About 2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 78943781) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID78943781
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC(C)CCN(c1ccc(N)c(OC(C)(C)C)n1)C1CC1
InChIInChI=1S/C17H29N3O/c1-12(2)10-11-20(13-6-7-13)15-9-8-14(18)16(19-15)21-17(3,4)5/h8-9,12-13H,6-7,10-11,18H2,1-5H3
InChIKeyMCNYFLAREOAMOZ-UHFFFAOYSA-N
XLogP3.86
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 78943781) is 2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CC(C)CCN(c1ccc(N)c(OC(C)(C)C)n1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is MCNYFLAREOAMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)10-11-20(13-6-7-13)15-9-8-14(18)16(19-15)21-17(3,4)5/h8-9,12-13H,6-7,10-11,18H2,1-5H3.
What are the key properties of 2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 291.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 78943781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).