3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine

C13H21N3O — CID 43678920

IUPAC3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NC1CCCC1
InChIInChI=1S/C13H21N3O/c1-16(2)11-8-9-14-13(17-3)12(11)15-10-6-4-5-7-10/h8-10,15H,4-7H2,1-3H3
InChIKeyFMHRTSYMWRSCRQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.51
Rot. Bonds4

About 3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678920) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678920
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NC1CCCC1
InChIInChI=1S/C13H21N3O/c1-16(2)11-8-9-14-13(17-3)12(11)15-10-6-4-5-7-10/h8-10,15H,4-7H2,1-3H3
InChIKeyFMHRTSYMWRSCRQ-UHFFFAOYSA-N
XLogP2.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678920) is 3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine is COc1nccc(N(C)C)c1NC1CCCC1.
What is the InChIKey of 3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is FMHRTSYMWRSCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(2)11-8-9-14-13(17-3)12(11)15-10-6-4-5-7-10/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).