N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine

C13H16N2 — CID 13226002

IUPACN,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine
SMILESCc1nc(C)c2ccc(N(C)C)ccc1-2
InChIInChI=1S/C13H16N2/c1-9-12-7-5-11(15(3)4)6-8-13(12)10(2)14-9/h5-8H,1-4H3
InChIKeyHBDYQCYXWBEDBU-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.87
Rot. Bonds1

About N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine

N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine (PubChem CID 13226002) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine
PubChem CID13226002
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine
SMILESCc1nc(C)c2ccc(N(C)C)ccc1-2
InChIInChI=1S/C13H16N2/c1-9-12-7-5-11(15(3)4)6-8-13(12)10(2)14-9/h5-8H,1-4H3
InChIKeyHBDYQCYXWBEDBU-UHFFFAOYSA-N
XLogP2.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine?
The IUPAC name of N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine (CID 13226002) is N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine.
What is the SMILES notation for N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine?
The canonical SMILES for N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine is Cc1nc(C)c2ccc(N(C)C)ccc1-2.
What is the InChIKey of N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine?
The InChIKey is HBDYQCYXWBEDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-12-7-5-11(15(3)4)6-8-13(12)10(2)14-9/h5-8H,1-4H3.
What are the key properties of N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine?
N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine has a molecular weight of 200.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethylcyclohepta[c]pyrrol-6-amine is sourced from PubChem (CID 13226002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).