N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H26F3NO — CID 64753670

IUPACN-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)CCOCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-11(2)7-9-19-10-8-18-13-5-3-12(4-6-13)14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyYHJGKKPZCCIKRY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds7

About N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753670) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753670
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)CCOCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-11(2)7-9-19-10-8-18-13-5-3-12(4-6-13)14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyYHJGKKPZCCIKRY-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753670) is N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC(C)CCOCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YHJGKKPZCCIKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11(2)7-9-19-10-8-18-13-5-3-12(4-6-13)14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).