N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine

C14H25N5 — CID 79973863

IUPACN-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(C2CN3CCN2CC3)[nH]1
InChIInChI=1S/C14H25N5/c1-11(2)7-15-8-12-9-16-14(17-12)13-10-18-3-5-19(13)6-4-18/h9,11,13,15H,3-8,10H2,1-2H3,(H,16,17)
InChIKeyHYDIRXRSNKVIDQ-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.83
Rot. Bonds5

About N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79973863) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID79973863
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(C2CN3CCN2CC3)[nH]1
InChIInChI=1S/C14H25N5/c1-11(2)7-15-8-12-9-16-14(17-12)13-10-18-3-5-19(13)6-4-18/h9,11,13,15H,3-8,10H2,1-2H3,(H,16,17)
InChIKeyHYDIRXRSNKVIDQ-UHFFFAOYSA-N
XLogP0.83
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methanol
CID 79974625
N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 79973860
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109571
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55178060
N-[[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79969276
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65140493
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 79969557
2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63109614
2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109581
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 113398749
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-pyrimidin-6-one
CID 79970436
N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63109605

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine (CID 79973863) is N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(C2CN3CCN2CC3)[nH]1.
What is the InChIKey of N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is HYDIRXRSNKVIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11(2)7-15-8-12-9-16-14(17-12)13-10-18-3-5-19(13)6-4-18/h9,11,13,15H,3-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 263.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79973863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).