2-N-cyclooctyl-6-propoxypyridine-2,5-diamine

C16H27N3O — CID 43261055

IUPAC2-N-cyclooctyl-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NC2CCCCCCC2)ccc1N
InChIInChI=1S/C16H27N3O/c1-2-12-20-16-14(17)10-11-15(19-16)18-13-8-6-4-3-5-7-9-13/h10-11,13H,2-9,12,17H2,1H3,(H,18,19)
InChIKeyFWSPBHAICMQWBL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.98
Rot. Bonds5

About 2-N-cyclooctyl-6-propoxypyridine-2,5-diamine

2-N-cyclooctyl-6-propoxypyridine-2,5-diamine (PubChem CID 43261055) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-N-cyclooctyl-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclooctyl-6-propoxypyridine-2,5-diamine
PubChem CID43261055
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-N-cyclooctyl-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NC2CCCCCCC2)ccc1N
InChIInChI=1S/C16H27N3O/c1-2-12-20-16-14(17)10-11-15(19-16)18-13-8-6-4-3-5-7-9-13/h10-11,13H,2-9,12,17H2,1H3,(H,18,19)
InChIKeyFWSPBHAICMQWBL-UHFFFAOYSA-N
XLogP3.98
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopropyl-6-propoxypyridine-2,5-diamine
CID 43260902
2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine
CID 114118765
2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261052
2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine
CID 63406207
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
6-N-cyclohexylpyridine-2,3,6-triamine
CID 79823249
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol
CID 55172554
N-cyclohexyl-2-methyl-6-propoxypyrimidin-4-amine
CID 82454018
2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine
CID 82458395
2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82458391
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-propoxypyridin-3-amine
CID 43628006
2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine
CID 54954505

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclooctyl-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-cyclooctyl-6-propoxypyridine-2,5-diamine (CID 43261055) is 2-N-cyclooctyl-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-cyclooctyl-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-cyclooctyl-6-propoxypyridine-2,5-diamine is CCCOc1nc(NC2CCCCCCC2)ccc1N.
What is the InChIKey of 2-N-cyclooctyl-6-propoxypyridine-2,5-diamine?
The InChIKey is FWSPBHAICMQWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-12-20-16-14(17)10-11-15(19-16)18-13-8-6-4-3-5-7-9-13/h10-11,13H,2-9,12,17H2,1H3,(H,18,19).
What are the key properties of 2-N-cyclooctyl-6-propoxypyridine-2,5-diamine?
2-N-cyclooctyl-6-propoxypyridine-2,5-diamine has a molecular weight of 277.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclooctyl-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 43261055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).