trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol

C10H21NO — CID 167021569

IUPACtrans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol
SMILESCN[C@@]1(C)CC[C@@H](O)C(C)(C)C1
InChIInChI=1S/C10H21NO/c1-9(2)7-10(3,11-4)6-5-8(9)12/h8,11-12H,5-7H2,1-4H3/t8-,10+/m1/s1
InChIKeyZTRUCGRHFIFORK-SCZZXKLOSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds1

About trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol

trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol (PubChem CID 167021569) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol
PubChem CID167021569
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol
SMILESCN[C@@]1(C)CC[C@@H](O)C(C)(C)C1
InChIInChI=1S/C10H21NO/c1-9(2)7-10(3,11-4)6-5-8(9)12/h8,11-12H,5-7H2,1-4H3/t8-,10+/m1/s1
InChIKeyZTRUCGRHFIFORK-SCZZXKLOSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol (CID 167021569) is trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol is CN[C@@]1(C)CC[C@@H](O)C(C)(C)C1.
What is the InChIKey of trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol?
The InChIKey is ZTRUCGRHFIFORK-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)7-10(3,11-4)6-5-8(9)12/h8,11-12H,5-7H2,1-4H3/t8-,10+/m1/s1.
What are the key properties of trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol?
trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,4S)-2,2,4-trimethyl-4-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 167021569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).