1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol

C13H27NO — CID 64756468

IUPAC1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC(C)(C)C)C1C
InChIInChI=1S/C13H27NO/c1-10-7-6-8-13(15,11(10)2)9-14-12(3,4)5/h10-11,14-15H,6-9H2,1-5H3
InChIKeyUYWBDNNPSBIHFK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds2

About 1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol

1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol (PubChem CID 64756468) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol
PubChem CID64756468
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC(C)(C)C)C1C
InChIInChI=1S/C13H27NO/c1-10-7-6-8-13(15,11(10)2)9-14-12(3,4)5/h10-11,14-15H,6-9H2,1-5H3
InChIKeyUYWBDNNPSBIHFK-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol (CID 64756468) is 1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(CNC(C)(C)C)C1C.
What is the InChIKey of 1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol?
The InChIKey is UYWBDNNPSBIHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-7-6-8-13(15,11(10)2)9-14-12(3,4)5/h10-11,14-15H,6-9H2,1-5H3.
What are the key properties of 1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol?
1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64756468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).