N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H22F3NO — CID 64755681

IUPACN-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-17-9-3-2-8-16-11-6-4-10(5-7-11)12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyOBYCTPNIRPPPGU-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds6

About N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755681) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755681
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-17-9-3-2-8-16-11-6-4-10(5-7-11)12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyOBYCTPNIRPPPGU-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375
N',N'-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butane-1,4-diamine
CID 64754071
N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844849
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753627
N-(5-methoxypentyl)thian-4-amine
CID 103631860
N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 82714410
N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64756068
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844810
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
CID 82959515
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755681) is N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine is COCCCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OBYCTPNIRPPPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-17-9-3-2-8-16-11-6-4-10(5-7-11)12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).