4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine

C18H25N3 — CID 130449148

IUPAC4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine
SMILESCNCCCc1cccc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21)
InChIKeyCUTMJYPBBFYFJH-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.91
Rot. Bonds7

About 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine

4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine (PubChem CID 130449148) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine
PubChem CID130449148
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine
SMILESCNCCCc1cccc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21)
InChIKeyCUTMJYPBBFYFJH-UHFFFAOYSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine (CID 130449148) is 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine is CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1.
What is the InChIKey of 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine?
The InChIKey is CUTMJYPBBFYFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21).
What are the key properties of 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine?
4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-[3-[3-(methylamino)propyl]phenyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 130449148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).