3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid

C15H30N2O2 — CID 58003870

IUPAC3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)NC1CC(NC(C)(C)C)CC(C(=O)O)C1
InChIInChI=1S/C15H30N2O2/c1-14(2,3)16-11-7-10(13(18)19)8-12(9-11)17-15(4,5)6/h10-12,16-17H,7-9H2,1-6H3,(H,18,19)
InChIKeyAPSAZWHGTDKGPG-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.38
Rot. Bonds3

About 3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid

3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid (PubChem CID 58003870) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid
PubChem CID58003870
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)NC1CC(NC(C)(C)C)CC(C(=O)O)C1
InChIInChI=1S/C15H30N2O2/c1-14(2,3)16-11-7-10(13(18)19)8-12(9-11)17-15(4,5)6/h10-12,16-17H,7-9H2,1-6H3,(H,18,19)
InChIKeyAPSAZWHGTDKGPG-UHFFFAOYSA-N
XLogP2.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ditert-butyl 5-(tert-butylamino)cyclohexane-1,3-dicarboxylate
CID 171748856
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide
CID 139573847
3-methylcyclobutane-1-carboxylic acid
CID 3044406
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
5-(2-methylbutan-2-yl)cyclohexane-1,3-dicarboxylic acid
CID 67154598
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
3-(cyclopentylamino)cyclobutane-1-carboxylic acid
CID 117027696
3-(sulfamoylamino)cyclobutane-1-carboxylic acid
CID 164651614
3,6-dimethylcycloheptane-1-carboxylic acid
CID 59898167
3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid
CID 69261986

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid (CID 58003870) is 3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid is CC(C)(C)NC1CC(NC(C)(C)C)CC(C(=O)O)C1.
What is the InChIKey of 3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid?
The InChIKey is APSAZWHGTDKGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14(2,3)16-11-7-10(13(18)19)8-12(9-11)17-15(4,5)6/h10-12,16-17H,7-9H2,1-6H3,(H,18,19).
What are the key properties of 3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid?
3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58003870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).