N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine

C14H25N3 — CID 79244227

IUPACN-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine
SMILESCNc1ccnc(CN(CC(C)C)C(C)C)c1
InChIInChI=1S/C14H25N3/c1-11(2)9-17(12(3)4)10-14-8-13(15-5)6-7-16-14/h6-8,11-12H,9-10H2,1-5H3,(H,15,16)
InChIKeyHYUBGQRALKWDRZ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.99
Rot. Bonds6

About N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine

N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine (PubChem CID 79244227) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine
PubChem CID79244227
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine
SMILESCNc1ccnc(CN(CC(C)C)C(C)C)c1
InChIInChI=1S/C14H25N3/c1-11(2)9-17(12(3)4)10-14-8-13(15-5)6-7-16-14/h6-8,11-12H,9-10H2,1-5H3,(H,15,16)
InChIKeyHYUBGQRALKWDRZ-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine?
The IUPAC name of N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine (CID 79244227) is N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine is CNc1ccnc(CN(CC(C)C)C(C)C)c1.
What is the InChIKey of N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine?
The InChIKey is HYUBGQRALKWDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(2)9-17(12(3)4)10-14-8-13(15-5)6-7-16-14/h6-8,11-12H,9-10H2,1-5H3,(H,15,16).
What are the key properties of N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine?
N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine has a molecular weight of 235.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine is sourced from PubChem (CID 79244227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).