4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

C14H26F3N — CID 177148467

IUPAC4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCC(C)CC1CCC(NCCCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N/c1-11(2)10-12-4-6-13(7-5-12)18-9-3-8-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyWHQMYUWSWIETEA-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.52
Rot. Bonds6

About 4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (PubChem CID 177148467) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
PubChem CID177148467
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCC(C)CC1CCC(NCCCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N/c1-11(2)10-12-4-6-13(7-5-12)18-9-3-8-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyWHQMYUWSWIETEA-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.52
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

4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
CID 115517023
4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 65091618
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
(1R,5S)-8-propan-2-yl-N-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 177148556
4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
CID 115491425
N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115520291
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039078
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
CID 82959515
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833
N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine
CID 177148483

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (CID 177148467) is 4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is CC(C)CC1CCC(NCCCC(F)(F)F)CC1.
What is the InChIKey of 4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The InChIKey is WHQMYUWSWIETEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N/c1-11(2)10-12-4-6-13(7-5-12)18-9-3-8-14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is sourced from PubChem (CID 177148467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).