N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine

C16H26N2 — CID 81025284

IUPACN-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1ccc(C)nc1
InChIInChI=1S/C16H26N2/c1-3-17-11-14-7-5-4-6-8-16(14)15-10-9-13(2)18-12-15/h9-10,12,14,16-17H,3-8,11H2,1-2H3
InChIKeyZGSHJLGEMACCMS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.66
Rot. Bonds4

About N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine

N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine (PubChem CID 81025284) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine
PubChem CID81025284
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1ccc(C)nc1
InChIInChI=1S/C16H26N2/c1-3-17-11-14-7-5-4-6-8-16(14)15-10-9-13(2)18-12-15/h9-10,12,14,16-17H,3-8,11H2,1-2H3
InChIKeyZGSHJLGEMACCMS-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine (CID 81025284) is N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1c1ccc(C)nc1.
What is the InChIKey of N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine?
The InChIKey is ZGSHJLGEMACCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-11-14-7-5-4-6-8-16(14)15-10-9-13(2)18-12-15/h9-10,12,14,16-17H,3-8,11H2,1-2H3.
What are the key properties of N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine?
N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81025284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).