4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

C16H28F3NO — CID 65115300

IUPAC4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNC2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C16H28F3NO/c1-14(2)6-8-15(21,9-7-14)11-20-13-5-3-4-12(10-13)16(17,18)19/h12-13,20-21H,3-11H2,1-2H3
InChIKeyFPOWPWYNMVKLLG-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.03
Rot. Bonds3

About 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (PubChem CID 65115300) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
PubChem CID65115300
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNC2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C16H28F3NO/c1-14(2)6-8-15(21,9-7-14)11-20-13-5-3-4-12(10-13)16(17,18)19/h12-13,20-21H,3-11H2,1-2H3
InChIKeyFPOWPWYNMVKLLG-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1S,3R)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 99827879
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609637
trans-(1S,3S)-N-[(4-methylsulfanyloxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129381562
N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 114615558
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627947
1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116763
2-(1-hydroxycyclopentyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 111430402
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
1-[[(3-ethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 65105949
4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65115104

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (CID 65115300) is 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNC2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is FPOWPWYNMVKLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-14(2)6-8-15(21,9-7-14)11-20-13-5-3-4-12(10-13)16(17,18)19/h12-13,20-21H,3-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 307.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).