N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine

C11H20F3N — CID 115486702

IUPACN-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCC1CCCCC1
InChIInChI=1S/C11H20F3N/c12-11(13,14)7-4-8-15-9-10-5-2-1-3-6-10/h10,15H,1-9H2
InChIKeyOGXSVOXYMPWWJH-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.50
Rot. Bonds5

About N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine

N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 115486702) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine
PubChem CID115486702
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC NameN-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCC1CCCCC1
InChIInChI=1S/C11H20F3N/c12-11(13,14)7-4-8-15-9-10-5-2-1-3-6-10/h10,15H,1-9H2
InChIKeyOGXSVOXYMPWWJH-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 106008062
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine
CID 115520232
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
4,4,4-trifluorobutylcyclopentane
CID 149313516
N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 115518172
N-(azepan-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 113327737
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326322
6-chloro-N-(cyclohexylmethyl)hexan-1-amine
CID 107845744
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine (CID 115486702) is N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine is FC(F)(F)CCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is OGXSVOXYMPWWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c12-11(13,14)7-4-8-15-9-10-5-2-1-3-6-10/h10,15H,1-9H2.
What are the key properties of N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine?
N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115486702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).