1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol

C15H28N2O — CID 60899990

IUPAC1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2CN3CCC2CC3)CCCCCC1
InChIInChI=1S/C15H28N2O/c18-15(7-3-1-2-4-8-15)12-16-14-11-17-9-5-13(14)6-10-17/h13-14,16,18H,1-12H2
InChIKeyZNRGBAIBMHWZSU-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.76
Rot. Bonds3

About 1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol

1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol (PubChem CID 60899990) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol
PubChem CID60899990
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2CN3CCC2CC3)CCCCCC1
InChIInChI=1S/C15H28N2O/c18-15(7-3-1-2-4-8-15)12-16-14-11-17-9-5-13(14)6-10-17/h13-14,16,18H,1-12H2
InChIKeyZNRGBAIBMHWZSU-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cyclohexan-1-ol
CID 60900375
1-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclobutan-1-ol
CID 105364924
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499037
1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol
CID 95377558
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
(3S)-N-(cyclopropylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28948976
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240963
1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
CID 54937597
N-(thian-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80596482

Frequently Asked Questions

What is the IUPAC name of 1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol (CID 60899990) is 1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol is OC1(CNC2CN3CCC2CC3)CCCCCC1.
What is the InChIKey of 1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol?
The InChIKey is ZNRGBAIBMHWZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-15(7-3-1-2-4-8-15)12-16-14-11-17-9-5-13(14)6-10-17/h13-14,16,18H,1-12H2.
What are the key properties of 1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol?
1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 60899990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).