5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine

C16H27N3 — CID 62183656

IUPAC5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(CN(C)C2CCCCCC2)cn1
InChIInChI=1S/C16H27N3/c1-3-17-16-11-10-14(12-18-16)13-19(2)15-8-6-4-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,17,18)
InChIKeyYOGPALMVBZVVJX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.67
Rot. Bonds5

About 5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine

5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine (PubChem CID 62183656) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
PubChem CID62183656
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(CN(C)C2CCCCCC2)cn1
InChIInChI=1S/C16H27N3/c1-3-17-16-11-10-14(12-18-16)13-19(2)15-8-6-4-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,17,18)
InChIKeyYOGPALMVBZVVJX-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine (CID 62183656) is 5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine is CCNc1ccc(CN(C)C2CCCCCC2)cn1.
What is the InChIKey of 5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
The InChIKey is YOGPALMVBZVVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-17-16-11-10-14(12-18-16)13-19(2)15-8-6-4-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,17,18).
What are the key properties of 5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62183656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).