N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine

C17H22N2 — CID 116950987

IUPACN-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1ccc2cc(C)ccc2c1)C1CCCN1
InChIInChI=1S/C17H22N2/c1-12-5-6-14-11-15(8-7-13(14)10-12)17(18-2)16-4-3-9-19-16/h5-8,10-11,16-19H,3-4,9H2,1-2H3
InChIKeySJQSZLHNELVVLB-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.16
Rot. Bonds3

About N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine

N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine (PubChem CID 116950987) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
PubChem CID116950987
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1ccc2cc(C)ccc2c1)C1CCCN1
InChIInChI=1S/C17H22N2/c1-12-5-6-14-11-15(8-7-13(14)10-12)17(18-2)16-4-3-9-19-16/h5-8,10-11,16-19H,3-4,9H2,1-2H3
InChIKeySJQSZLHNELVVLB-UHFFFAOYSA-N
XLogP3.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968
1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950884
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950939
1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950906
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950896
N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine
CID 116951196
1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine
CID 116936059
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951150
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950946

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine (CID 116950987) is N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine is CNC(c1ccc2cc(C)ccc2c1)C1CCCN1.
What is the InChIKey of N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine?
The InChIKey is SJQSZLHNELVVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-5-6-14-11-15(8-7-13(14)10-12)17(18-2)16-4-3-9-19-16/h5-8,10-11,16-19H,3-4,9H2,1-2H3.
What are the key properties of N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine?
N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 116950987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).