N-methyl-1-(4-methylazepin-4-yl)methanamine

C9H14N2 — CID 143058955

IUPACN-methyl-1-(4-methylazepin-4-yl)methanamine
SMILESCNCC1(C)C=CC=NC=C1
InChIInChI=1S/C9H14N2/c1-9(8-10-2)4-3-6-11-7-5-9/h3-7,10H,8H2,1-2H3
InChIKeyAVVMCXJKSDCZBU-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.37
Rot. Bonds2

About N-methyl-1-(4-methylazepin-4-yl)methanamine

N-methyl-1-(4-methylazepin-4-yl)methanamine (PubChem CID 143058955) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-methyl-1-(4-methylazepin-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylazepin-4-yl)methanamine
PubChem CID143058955
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-methyl-1-(4-methylazepin-4-yl)methanamine
SMILESCNCC1(C)C=CC=NC=C1
InChIInChI=1S/C9H14N2/c1-9(8-10-2)4-3-6-11-7-5-9/h3-7,10H,8H2,1-2H3
InChIKeyAVVMCXJKSDCZBU-UHFFFAOYSA-N
XLogP1.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylazepin-4-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methylazepin-4-yl)methanamine (CID 143058955) is N-methyl-1-(4-methylazepin-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylazepin-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylazepin-4-yl)methanamine is CNCC1(C)C=CC=NC=C1.
What is the InChIKey of N-methyl-1-(4-methylazepin-4-yl)methanamine?
The InChIKey is AVVMCXJKSDCZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-9(8-10-2)4-3-6-11-7-5-9/h3-7,10H,8H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylazepin-4-yl)methanamine?
N-methyl-1-(4-methylazepin-4-yl)methanamine has a molecular weight of 150.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylazepin-4-yl)methanamine is sourced from PubChem (CID 143058955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).