N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine

C13H18N2 — CID 167092317

IUPACN-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine
SMILESCNCCc1c[nH]c2c1C(C)=CCC=C2
InChIInChI=1S/C13H18N2/c1-10-5-3-4-6-12-13(10)11(9-15-12)7-8-14-2/h4-6,9,14-15H,3,7-8H2,1-2H3
InChIKeyUZFQVWBGVATFRA-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.60
Rot. Bonds3

About N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine

N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine (PubChem CID 167092317) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine
PubChem CID167092317
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine
SMILESCNCCc1c[nH]c2c1C(C)=CCC=C2
InChIInChI=1S/C13H18N2/c1-10-5-3-4-6-12-13(10)11(9-15-12)7-8-14-2/h4-6,9,14-15H,3,7-8H2,1-2H3
InChIKeyUZFQVWBGVATFRA-UHFFFAOYSA-N
XLogP2.60
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine (CID 167092317) is N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine is CNCCc1c[nH]c2c1C(C)=CCC=C2.
What is the InChIKey of N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine?
The InChIKey is UZFQVWBGVATFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-5-3-4-6-12-13(10)11(9-15-12)7-8-14-2/h4-6,9,14-15H,3,7-8H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine?
N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,6-dihydrocyclohepta[b]pyrrol-3-yl)ethanamine is sourced from PubChem (CID 167092317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).