N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C16H28N4 — CID 106552189

IUPACN-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(c1nccn1C(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H28N4/c1-4-8-20(16-17-7-9-19(16)12(2)3)15-10-13-5-6-14(11-15)18-13/h7,9,12-15,18H,4-6,8,10-11H2,1-3H3
InChIKeyFNKNQKNITVTBNP-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.96
Rot. Bonds5

About N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106552189) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106552189
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(c1nccn1C(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H28N4/c1-4-8-20(16-17-7-9-19(16)12(2)3)15-10-13-5-6-14(11-15)18-13/h7,9,12-15,18H,4-6,8,10-11H2,1-3H3
InChIKeyFNKNQKNITVTBNP-UHFFFAOYSA-N
XLogP2.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 106552189) is N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(c1nccn1C(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FNKNQKNITVTBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-8-20(16-17-7-9-19(16)12(2)3)15-10-13-5-6-14(11-15)18-13/h7,9,12-15,18H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106552189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).