4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid

C15H26N2O2 — CID 105366218

IUPAC4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNC2CCN3CCC2C3)CC1
InChIInChI=1S/C15H26N2O2/c18-15(19)12-3-1-11(2-4-12)9-16-14-6-8-17-7-5-13(14)10-17/h11-14,16H,1-10H2,(H,18,19)
InChIKeyXZBGCCBVPMOIEI-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.56
Rot. Bonds4

About 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid

4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 105366218) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID105366218
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNC2CCN3CCC2C3)CC1
InChIInChI=1S/C15H26N2O2/c18-15(19)12-3-1-11(2-4-12)9-16-14-6-8-17-7-5-13(14)10-17/h11-14,16H,1-10H2,(H,18,19)
InChIKeyXZBGCCBVPMOIEI-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid
CID 105366142
(3S)-N-(cyclopropylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28948976
tert-butyl 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]piperidine-1-carboxylate
CID 107241575
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
2-(1-azabicyclo[3.2.1]octan-4-ylamino)acetamide
CID 105363555
N-[(4-ethylcyclohexyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60971601
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499037
3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide
CID 106274781
tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249884
4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114240737
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide
CID 105363868

Frequently Asked Questions

What is the IUPAC name of 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid (CID 105366218) is 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNC2CCN3CCC2C3)CC1.
What is the InChIKey of 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is XZBGCCBVPMOIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(19)12-3-1-11(2-4-12)9-16-14-6-8-17-7-5-13(14)10-17/h11-14,16H,1-10H2,(H,18,19).
What are the key properties of 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 266.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 105366218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).