(6-cycloheptyloxy-2-pyridinyl)methanamine

C13H20N2O — CID 62297875

IUPAC(6-cycloheptyloxy-2-pyridinyl)methanamine
SMILESNCc1cccc(OC2CCCCCC2)n1
InChIInChI=1S/C13H20N2O/c14-10-11-6-5-9-13(15-11)16-12-7-3-1-2-4-8-12/h5-6,9,12H,1-4,7-8,10,14H2
InChIKeyRATBOFCFSCBLNT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.64
Rot. Bonds3

About (6-cycloheptyloxy-2-pyridinyl)methanamine

(6-cycloheptyloxy-2-pyridinyl)methanamine (PubChem CID 62297875) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (6-cycloheptyloxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-cycloheptyloxy-2-pyridinyl)methanamine
PubChem CID62297875
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(6-cycloheptyloxy-2-pyridinyl)methanamine
SMILESNCc1cccc(OC2CCCCCC2)n1
InChIInChI=1S/C13H20N2O/c14-10-11-6-5-9-13(15-11)16-12-7-3-1-2-4-8-12/h5-6,9,12H,1-4,7-8,10,14H2
InChIKeyRATBOFCFSCBLNT-UHFFFAOYSA-N
XLogP2.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-cycloheptyloxy-2-pyridinyl)methanamine?
The IUPAC name of (6-cycloheptyloxy-2-pyridinyl)methanamine (CID 62297875) is (6-cycloheptyloxy-2-pyridinyl)methanamine.
What is the SMILES notation for (6-cycloheptyloxy-2-pyridinyl)methanamine?
The canonical SMILES for (6-cycloheptyloxy-2-pyridinyl)methanamine is NCc1cccc(OC2CCCCCC2)n1.
What is the InChIKey of (6-cycloheptyloxy-2-pyridinyl)methanamine?
The InChIKey is RATBOFCFSCBLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-10-11-6-5-9-13(15-11)16-12-7-3-1-2-4-8-12/h5-6,9,12H,1-4,7-8,10,14H2.
What are the key properties of (6-cycloheptyloxy-2-pyridinyl)methanamine?
(6-cycloheptyloxy-2-pyridinyl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cycloheptyloxy-2-pyridinyl)methanamine is sourced from PubChem (CID 62297875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).