(1-methyl-2H-naphthalen-1-yl)methanamine

C12H15N — CID 71302086

IUPAC(1-methyl-2H-naphthalen-1-yl)methanamine
SMILESCC1(CN)CC=Cc2ccccc21
InChIInChI=1S/C12H15N/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-7H,8-9,13H2,1H3
InChIKeyXKBIUJMGLWVNMH-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.32
Rot. Bonds1

About (1-methyl-2H-naphthalen-1-yl)methanamine

(1-methyl-2H-naphthalen-1-yl)methanamine (PubChem CID 71302086) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (1-methyl-2H-naphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-2H-naphthalen-1-yl)methanamine
PubChem CID71302086
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(1-methyl-2H-naphthalen-1-yl)methanamine
SMILESCC1(CN)CC=Cc2ccccc21
InChIInChI=1S/C12H15N/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-7H,8-9,13H2,1H3
InChIKeyXKBIUJMGLWVNMH-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2H-naphthalen-1-yl)methanamine?
The IUPAC name of (1-methyl-2H-naphthalen-1-yl)methanamine (CID 71302086) is (1-methyl-2H-naphthalen-1-yl)methanamine.
What is the SMILES notation for (1-methyl-2H-naphthalen-1-yl)methanamine?
The canonical SMILES for (1-methyl-2H-naphthalen-1-yl)methanamine is CC1(CN)CC=Cc2ccccc21.
What is the InChIKey of (1-methyl-2H-naphthalen-1-yl)methanamine?
The InChIKey is XKBIUJMGLWVNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-7H,8-9,13H2,1H3.
What are the key properties of (1-methyl-2H-naphthalen-1-yl)methanamine?
(1-methyl-2H-naphthalen-1-yl)methanamine has a molecular weight of 173.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2H-naphthalen-1-yl)methanamine is sourced from PubChem (CID 71302086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).