1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine

C14H23N3 — CID 62339065

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESCN1C2CCC1CC(CNCc1ccc[nH]1)C2
InChIInChI=1S/C14H23N3/c1-17-13-4-5-14(17)8-11(7-13)9-15-10-12-3-2-6-16-12/h2-3,6,11,13-16H,4-5,7-10H2,1H3
InChIKeySZFBHIVKWWVPQR-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.98
Rot. Bonds4

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine (PubChem CID 62339065) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
PubChem CID62339065
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESCN1C2CCC1CC(CNCc1ccc[nH]1)C2
InChIInChI=1S/C14H23N3/c1-17-13-4-5-14(17)8-11(7-13)9-15-10-12-3-2-6-16-12/h2-3,6,11,13-16H,4-5,7-10H2,1H3
InChIKeySZFBHIVKWWVPQR-UHFFFAOYSA-N
XLogP1.98
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine (CID 62339065) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine is CN1C2CCC1CC(CNCc1ccc[nH]1)C2.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The InChIKey is SZFBHIVKWWVPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17-13-4-5-14(17)8-11(7-13)9-15-10-12-3-2-6-16-12/h2-3,6,11,13-16H,4-5,7-10H2,1H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine is sourced from PubChem (CID 62339065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).