N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine

C14H21N3 — CID 61012196

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine
SMILESCN1C2CCC1CC(CNc1ccccn1)C2
InChIInChI=1S/C14H21N3/c1-17-12-5-6-13(17)9-11(8-12)10-16-14-4-2-3-7-15-14/h2-4,7,11-13H,5-6,8-10H2,1H3,(H,15,16)
InChIKeyVRWCCCRFUTXKQS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.37
Rot. Bonds3

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine (PubChem CID 61012196) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine
PubChem CID61012196
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine
SMILESCN1C2CCC1CC(CNc1ccccn1)C2
InChIInChI=1S/C14H21N3/c1-17-12-5-6-13(17)9-11(8-12)10-16-14-4-2-3-7-15-14/h2-4,7,11-13H,5-6,8-10H2,1H3,(H,15,16)
InChIKeyVRWCCCRFUTXKQS-UHFFFAOYSA-N
XLogP2.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine (CID 61012196) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine is CN1C2CCC1CC(CNc1ccccn1)C2.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine?
The InChIKey is VRWCCCRFUTXKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-17-12-5-6-13(17)9-11(8-12)10-16-14-4-2-3-7-15-14/h2-4,7,11-13H,5-6,8-10H2,1H3,(H,15,16).
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 61012196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).