3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine

C16H26N2O — CID 116539196

IUPAC3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2ncc(C)c(OC)c2C)C1
InChIInChI=1S/C16H26N2O/c1-11-10-18-14(12(2)15(11)19-5)9-16(3)7-6-13(8-16)17-4/h10,13,17H,6-9H2,1-5H3
InChIKeyYCVHEUKWLUCLLU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.03
Rot. Bonds4

About 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine (PubChem CID 116539196) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine
PubChem CID116539196
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2ncc(C)c(OC)c2C)C1
InChIInChI=1S/C16H26N2O/c1-11-10-18-14(12(2)15(11)19-5)9-16(3)7-6-13(8-16)17-4/h10,13,17H,6-9H2,1-5H3
InChIKeyYCVHEUKWLUCLLU-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine (CID 116539196) is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine is CNC1CCC(C)(Cc2ncc(C)c(OC)c2C)C1.
What is the InChIKey of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The InChIKey is YCVHEUKWLUCLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-10-18-14(12(2)15(11)19-5)9-16(3)7-6-13(8-16)17-4/h10,13,17H,6-9H2,1-5H3.
What are the key properties of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine?
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 116539196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).