N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C16H21N3 — CID 83208066

IUPACN-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(Cc3ccncc3)cc21
InChIInChI=1S/C16H21N3/c1-17-16-5-3-2-4-14-11-19(12-15(14)16)10-13-6-8-18-9-7-13/h6-9,11-12,16-17H,2-5,10H2,1H3
InChIKeyCYVXBUKVZOATEP-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.92
Rot. Bonds3

About N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83208066) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83208066
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(Cc3ccncc3)cc21
InChIInChI=1S/C16H21N3/c1-17-16-5-3-2-4-14-11-19(12-15(14)16)10-13-6-8-18-9-7-13/h6-9,11-12,16-17H,2-5,10H2,1H3
InChIKeyCYVXBUKVZOATEP-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83208066) is N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CNC1CCCCc2cn(Cc3ccncc3)cc21.
What is the InChIKey of N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is CYVXBUKVZOATEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-17-16-5-3-2-4-14-11-19(12-15(14)16)10-13-6-8-18-9-7-13/h6-9,11-12,16-17H,2-5,10H2,1H3.
What are the key properties of N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 255.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83208066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).