N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

C20H25N — CID 63520754

IUPACN-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNCC1(Cc2cccc3ccccc23)CC2CCC1C2
InChIInChI=1S/C20H25N/c1-21-14-20(12-15-9-10-18(20)11-15)13-17-7-4-6-16-5-2-3-8-19(16)17/h2-8,15,18,21H,9-14H2,1H3
InChIKeyUWELTFYMCAMCHA-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.41
Rot. Bonds4

About N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 63520754) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID63520754
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNCC1(Cc2cccc3ccccc23)CC2CCC1C2
InChIInChI=1S/C20H25N/c1-21-14-20(12-15-9-10-18(20)11-15)13-17-7-4-6-16-5-2-3-8-19(16)17/h2-8,15,18,21H,9-14H2,1H3
InChIKeyUWELTFYMCAMCHA-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 63520754) is N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is CNCC1(Cc2cccc3ccccc23)CC2CCC1C2.
What is the InChIKey of N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is UWELTFYMCAMCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-21-14-20(12-15-9-10-18(20)11-15)13-17-7-4-6-16-5-2-3-8-19(16)17/h2-8,15,18,21H,9-14H2,1H3.
What are the key properties of N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 279.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 63520754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).