5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol

C14H27F2NO — CID 114224006

IUPAC5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC1CCCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-13(2,6-4-8-18)11-17-10-12-5-3-7-14(15,16)9-12/h12,17-18H,3-11H2,1-2H3
InChIKeyNELAUKMEVAPLLM-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.20
Rot. Bonds7

About 5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol

5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 114224006) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID114224006
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC1CCCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-13(2,6-4-8-18)11-17-10-12-5-3-7-14(15,16)9-12/h12,17-18H,3-11H2,1-2H3
InChIKeyNELAUKMEVAPLLM-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 114223863
2-[(3,3-difluorocyclohexyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114223959
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711
5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
CID 106141095
N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
CID 114223826
[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol
CID 114223810
1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol
CID 114224511
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
CID 114223910
1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine
CID 114223968
1-amino-2-[(3,3-difluorocyclohexyl)methyl]-3,3-dimethylbutan-2-ol
CID 114224520

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol (CID 114224006) is 5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCC1CCCC(F)(F)C1.
What is the InChIKey of 5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is NELAUKMEVAPLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-13(2,6-4-8-18)11-17-10-12-5-3-7-14(15,16)9-12/h12,17-18H,3-11H2,1-2H3.
What are the key properties of 5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 263.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114224006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).