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

C17H29N3O — CID 106007172

IUPAC2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(NCCCC2CCCC2)ccc1N
InChIInChI=1S/C17H29N3O/c1-17(2,3)21-16-14(18)10-11-15(20-16)19-12-6-9-13-7-4-5-8-13/h10-11,13H,4-9,12,18H2,1-3H3,(H,19,20)
InChIKeyNZXBWOXUTIKBGH-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.22
Rot. Bonds6

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

2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 106007172) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID106007172
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(NCCCC2CCCC2)ccc1N
InChIInChI=1S/C17H29N3O/c1-17(2,3)21-16-14(18)10-11-15(20-16)19-12-6-9-13-7-4-5-8-13/h10-11,13H,4-9,12,18H2,1-3H3,(H,19,20)
InChIKeyNZXBWOXUTIKBGH-UHFFFAOYSA-N
XLogP4.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
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-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261799
2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261052
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol
CID 106119798
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 63982043
2-N-(2,2-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 103460190
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132
6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine
CID 62500488
2-N-(2,3-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261108
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 61460018
4-N-(3-cyclopentylpropyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 106007188
2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine
CID 63826021

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 106007172) is 2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CC(C)(C)Oc1nc(NCCCC2CCCC2)ccc1N.
What is the InChIKey of 2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is NZXBWOXUTIKBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)21-16-14(18)10-11-15(20-16)19-12-6-9-13-7-4-5-8-13/h10-11,13H,4-9,12,18H2,1-3H3,(H,19,20).
What are the key properties of 2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 291.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 106007172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).