N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine

C11H22FN — CID 126847938

IUPACN-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(F)CCCCC1
InChIInChI=1S/C11H22FN/c1-10(2)8-13-9-11(12)6-4-3-5-7-11/h10,13H,3-9H2,1-2H3
InChIKeyCEJHLSLSSGXLES-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.90
Rot. Bonds4

About N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine

N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine (PubChem CID 126847938) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine
PubChem CID126847938
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC NameN-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(F)CCCCC1
InChIInChI=1S/C11H22FN/c1-10(2)8-13-9-11(12)6-4-3-5-7-11/h10,13H,3-9H2,1-2H3
InChIKeyCEJHLSLSSGXLES-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentan-1-amine
CID 105443345
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 106827227
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid
CID 105471452
2-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-1-amine
CID 104594825
N-[[1-(ethoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 103984513
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928
1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine
CID 137443011
2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516825
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 107401614

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine (CID 126847938) is N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1(F)CCCCC1.
What is the InChIKey of N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine?
The InChIKey is CEJHLSLSSGXLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2)8-13-9-11(12)6-4-3-5-7-11/h10,13H,3-9H2,1-2H3.
What are the key properties of N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine?
N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 126847938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).