N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine

C15H26N4 — CID 106552113

IUPACN-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)Cn1ccnc1N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4/c1-11(2)10-19-7-6-16-15(19)18(3)14-8-12-4-5-13(9-14)17-12/h6-7,11-14,17H,4-5,8-10H2,1-3H3
InChIKeySKMBRTASKFMVCM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106552113) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106552113
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)Cn1ccnc1N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4/c1-11(2)10-19-7-6-16-15(19)18(3)14-8-12-4-5-13(9-14)17-12/h6-7,11-14,17H,4-5,8-10H2,1-3H3
InChIKeySKMBRTASKFMVCM-UHFFFAOYSA-N
XLogP2.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine (CID 106552113) is N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine is CC(C)Cn1ccnc1N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SKMBRTASKFMVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)10-19-7-6-16-15(19)18(3)14-8-12-4-5-13(9-14)17-12/h6-7,11-14,17H,4-5,8-10H2,1-3H3.
What are the key properties of N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106552113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).