6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine

C16H27N3O — CID 115320957

IUPAC6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCC2(CC(C)C)CCCC2)n1
InChIInChI=1S/C16H27N3O/c1-12(2)10-16(8-4-5-9-16)11-18-15-13(17)6-7-14(19-15)20-3/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19)
InChIKeySHGUUOCQZFSAOX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds6

About 6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine

6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine (PubChem CID 115320957) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
PubChem CID115320957
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCC2(CC(C)C)CCCC2)n1
InChIInChI=1S/C16H27N3O/c1-12(2)10-16(8-4-5-9-16)11-18-15-13(17)6-7-14(19-15)20-3/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19)
InChIKeySHGUUOCQZFSAOX-UHFFFAOYSA-N
XLogP3.69
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine (CID 115320957) is 6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine is COc1ccc(N)c(NCC2(CC(C)C)CCCC2)n1.
What is the InChIKey of 6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine?
The InChIKey is SHGUUOCQZFSAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)10-16(8-4-5-9-16)11-18-15-13(17)6-7-14(19-15)20-3/h6-7,12H,4-5,8-11,17H2,1-3H3,(H,18,19).
What are the key properties of 6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine?
6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine is sourced from PubChem (CID 115320957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).