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

C17H30N4 — CID 64771331

IUPACN-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1ccn(C(C)C)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H30N4/c1-4-8-20(12-16-7-9-21(19-16)13(2)3)17-10-14-5-6-15(11-17)18-14/h7,9,13-15,17-18H,4-6,8,10-12H2,1-3H3
InChIKeyGJGWTXRMBNKLIX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.96
Rot. Bonds6

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

N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 64771331) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID64771331
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1ccn(C(C)C)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H30N4/c1-4-8-20(12-16-7-9-21(19-16)13(2)3)17-10-14-5-6-15(11-17)18-14/h7,9,13-15,17-18H,4-6,8,10-12H2,1-3H3
InChIKeyGJGWTXRMBNKLIX-UHFFFAOYSA-N
XLogP2.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
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-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 64771331) is N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1ccn(C(C)C)n1)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GJGWTXRMBNKLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-8-20(12-16-7-9-21(19-16)13(2)3)17-10-14-5-6-15(11-17)18-14/h7,9,13-15,17-18H,4-6,8,10-12H2,1-3H3.
What are the key properties of N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 290.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 64771331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).