N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine

C17H22N2 — CID 116545401

IUPACN-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
SMILESCNCc1cncc(-c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C17H22N2/c1-13(2)7-14-5-4-6-16(8-14)17-9-15(10-18-3)11-19-12-17/h4-6,8-9,11-13,18H,7,10H2,1-3H3
InChIKeyMMLQNXPFOOTNQJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.67
Rot. Bonds5

About N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine

N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine (PubChem CID 116545401) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
PubChem CID116545401
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
SMILESCNCc1cncc(-c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C17H22N2/c1-13(2)7-14-5-4-6-16(8-14)17-9-15(10-18-3)11-19-12-17/h4-6,8-9,11-13,18H,7,10H2,1-3H3
InChIKeyMMLQNXPFOOTNQJ-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine (CID 116545401) is N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine is CNCc1cncc(-c2cccc(CC(C)C)c2)c1.
What is the InChIKey of N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine?
The InChIKey is MMLQNXPFOOTNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)7-14-5-4-6-16(8-14)17-9-15(10-18-3)11-19-12-17/h4-6,8-9,11-13,18H,7,10H2,1-3H3.
What are the key properties of N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine?
N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 116545401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).