N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine

C15H27N3 — CID 79243378

IUPACN-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
SMILESCCCCCN(Cc1cccc(NC)n1)C(C)C
InChIInChI=1S/C15H27N3/c1-5-6-7-11-18(13(2)3)12-14-9-8-10-15(16-4)17-14/h8-10,13H,5-7,11-12H2,1-4H3,(H,16,17)
InChIKeyLXLVSOBGGKBXAX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds8

About N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine

N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine (PubChem CID 79243378) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
PubChem CID79243378
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
SMILESCCCCCN(Cc1cccc(NC)n1)C(C)C
InChIInChI=1S/C15H27N3/c1-5-6-7-11-18(13(2)3)12-14-9-8-10-15(16-4)17-14/h8-10,13H,5-7,11-12H2,1-4H3,(H,16,17)
InChIKeyLXLVSOBGGKBXAX-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
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 N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine (CID 79243378) is N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine is CCCCCN(Cc1cccc(NC)n1)C(C)C.
What is the InChIKey of N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine?
The InChIKey is LXLVSOBGGKBXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-6-7-11-18(13(2)3)12-14-9-8-10-15(16-4)17-14/h8-10,13H,5-7,11-12H2,1-4H3,(H,16,17).
What are the key properties of N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine?
N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 79243378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).