1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol

C14H25F2NO — CID 114223847

IUPAC1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCC2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2NO/c1-11-2-5-13(18,6-3-11)10-17-9-12-4-7-14(15,16)8-12/h11-12,17-18H,2-10H2,1H3
InChIKeyVHBPRZCPSMZHLY-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.95
Rot. Bonds4

About 1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol

1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 114223847) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol
PubChem CID114223847
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCC2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2NO/c1-11-2-5-13(18,6-3-11)10-17-9-12-4-7-14(15,16)8-12/h11-12,17-18H,2-10H2,1H3
InChIKeyVHBPRZCPSMZHLY-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62775285
3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
CID 65116289
1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol
CID 65120996
4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol
CID 79040662
N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide
CID 77056872
1-[[[(E)-but-2-enyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 107899031
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 114224490
1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115828
2-(cyclopropylmethylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119831
N-[(3,3-difluorocyclopentyl)methyl]propanamide
CID 131084528

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol (CID 114223847) is 1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCC2CCC(F)(F)C2)CC1.
What is the InChIKey of 1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is VHBPRZCPSMZHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-11-2-5-13(18,6-3-11)10-17-9-12-4-7-14(15,16)8-12/h11-12,17-18H,2-10H2,1H3.
What are the key properties of 1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 114223847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).