2-(6-methyl-3-pyridinyl)cycloheptan-1-amine

C13H20N2 — CID 63156067

IUPAC2-(6-methyl-3-pyridinyl)cycloheptan-1-amine
SMILESCc1ccc(C2CCCCCC2N)cn1
InChIInChI=1S/C13H20N2/c1-10-7-8-11(9-15-10)12-5-3-2-4-6-13(12)14/h7-9,12-13H,2-6,14H2,1H3
InChIKeyOMPVIBRLBDTVKM-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.77
Rot. Bonds1

About 2-(6-methyl-3-pyridinyl)cycloheptan-1-amine

2-(6-methyl-3-pyridinyl)cycloheptan-1-amine (PubChem CID 63156067) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)cycloheptan-1-amine
PubChem CID63156067
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-(6-methyl-3-pyridinyl)cycloheptan-1-amine
SMILESCc1ccc(C2CCCCCC2N)cn1
InChIInChI=1S/C13H20N2/c1-10-7-8-11(9-15-10)12-5-3-2-4-6-13(12)14/h7-9,12-13H,2-6,14H2,1H3
InChIKeyOMPVIBRLBDTVKM-UHFFFAOYSA-N
XLogP2.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)cycloheptan-1-amine?
The IUPAC name of 2-(6-methyl-3-pyridinyl)cycloheptan-1-amine (CID 63156067) is 2-(6-methyl-3-pyridinyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)cycloheptan-1-amine?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)cycloheptan-1-amine is Cc1ccc(C2CCCCCC2N)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)cycloheptan-1-amine?
The InChIKey is OMPVIBRLBDTVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-7-8-11(9-15-10)12-5-3-2-4-6-13(12)14/h7-9,12-13H,2-6,14H2,1H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)cycloheptan-1-amine?
2-(6-methyl-3-pyridinyl)cycloheptan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)cycloheptan-1-amine is sourced from PubChem (CID 63156067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).