3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine

C15H23N5 — CID 106041102

IUPAC3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine
SMILESCC(C)N(C)CCCn1cncc1-c1cnccc1N
InChIInChI=1S/C15H23N5/c1-12(2)19(3)7-4-8-20-11-18-10-15(20)13-9-17-6-5-14(13)16/h5-6,9-12H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeyDWZZQKHRELBHLR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.26
Rot. Bonds6

About 3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine

3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine (PubChem CID 106041102) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine
PubChem CID106041102
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine
SMILESCC(C)N(C)CCCn1cncc1-c1cnccc1N
InChIInChI=1S/C15H23N5/c1-12(2)19(3)7-4-8-20-11-18-10-15(20)13-9-17-6-5-14(13)16/h5-6,9-12H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeyDWZZQKHRELBHLR-UHFFFAOYSA-N
XLogP2.26
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine (CID 106041102) is 3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine is CC(C)N(C)CCCn1cncc1-c1cnccc1N.
What is the InChIKey of 3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine?
The InChIKey is DWZZQKHRELBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-12(2)19(3)7-4-8-20-11-18-10-15(20)13-9-17-6-5-14(13)16/h5-6,9-12H,4,7-8H2,1-3H3,(H2,16,17).
What are the key properties of 3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine?
3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 106041102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).