N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine

C9H12N2 — CID 939724

IUPACN-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine
SMILESC/N=c1\cccccc1NC
InChIInChI=1S/C9H12N2/c1-10-8-6-4-3-5-7-9(8)11-2/h3-7H,1-2H3,(H,10,11)
InChIKeyPVUJEIMMYXGDRV-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.26
Rot. Bonds1

About N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine

N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine (PubChem CID 939724) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine
PubChem CID939724
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine
SMILESC/N=c1\cccccc1NC
InChIInChI=1S/C9H12N2/c1-10-8-6-4-3-5-7-9(8)11-2/h3-7H,1-2H3,(H,10,11)
InChIKeyPVUJEIMMYXGDRV-UHFFFAOYSA-N
XLogP1.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine (CID 939724) is N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine is C/N=c1\cccccc1NC.
What is the InChIKey of N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine?
The InChIKey is PVUJEIMMYXGDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-10-8-6-4-3-5-7-9(8)11-2/h3-7H,1-2H3,(H,10,11).
What are the key properties of N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine?
N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine has a molecular weight of 148.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-methyliminocyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 939724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).