6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine

C17H21N3O — CID 80801326

IUPAC6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C17H21N3O/c1-2-11-18-16-8-5-9-17(20-16)19-14-10-12-21-15-7-4-3-6-13(14)15/h3-9,14H,2,10-12H2,1H3,(H2,18,19,20)
InChIKeyCDCAOVCUQIZVIT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.84
Rot. Bonds5

About 6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine

6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine (PubChem CID 80801326) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
PubChem CID80801326
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC2CCOc3ccccc32)n1
InChIInChI=1S/C17H21N3O/c1-2-11-18-16-8-5-9-17(20-16)19-14-10-12-21-15-7-4-3-6-13(14)15/h3-9,14H,2,10-12H2,1H3,(H2,18,19,20)
InChIKeyCDCAOVCUQIZVIT-UHFFFAOYSA-N
XLogP3.84
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
2-N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxypyridine-2,5-diamine
CID 62365052
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326094
6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
CID 80786169
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960743
6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-propylpyridine-2,6-diamine
CID 107855439
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
CID 62961004
3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65405691

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine (CID 80801326) is 6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NC2CCOc3ccccc32)n1.
What is the InChIKey of 6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is CDCAOVCUQIZVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-11-18-16-8-5-9-17(20-16)19-14-10-12-21-15-7-4-3-6-13(14)15/h3-9,14H,2,10-12H2,1H3,(H2,18,19,20).
What are the key properties of 6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine?
6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80801326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).