N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine

C12H16N4 — CID 59728194

IUPACN-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(Cc1cnc[nH]1)c1ccccn1
InChIInChI=1S/C12H16N4/c1-10(2)16(8-11-7-13-9-15-11)12-5-3-4-6-14-12/h3-7,9-10H,8H2,1-2H3,(H,13,15)
InChIKeyBKEVFDHIHCVQBH-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.22
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine

N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 59728194) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID59728194
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(Cc1cnc[nH]1)c1ccccn1
InChIInChI=1S/C12H16N4/c1-10(2)16(8-11-7-13-9-15-11)12-5-3-4-6-14-12/h3-7,9-10H,8H2,1-2H3,(H,13,15)
InChIKeyBKEVFDHIHCVQBH-UHFFFAOYSA-N
XLogP2.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine (CID 59728194) is N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine is CC(C)N(Cc1cnc[nH]1)c1ccccn1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is BKEVFDHIHCVQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10(2)16(8-11-7-13-9-15-11)12-5-3-4-6-14-12/h3-7,9-10H,8H2,1-2H3,(H,13,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine?
N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 59728194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).