N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H26F3NO — CID 43748961

IUPACN-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCCCCCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-2-3-4-5-9-18-12-7-6-8-13(10-12)19-11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyYSJBBGIBQRPJGE-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.05
Rot. Bonds8

About N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748961) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748961
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCCCCCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-2-3-4-5-9-18-12-7-6-8-13(10-12)19-11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyYSJBBGIBQRPJGE-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.05
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

3-methoxy-N-methylcyclohexan-1-amine
CID 14480118
3-(2,2,2-Trifluoroethoxy)cyclohexan-1-amine
CID 16228803
[3-(Propan-2-ylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 59304215
4-(2,2-difluoropropoxy)-N-methylcyclohexan-1-amine
CID 59453620
[3-(Methylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 68317400
4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
CID 123464531
2-fluoro-N-methyl-5-(oxolan-3-yloxy)cyclohexan-1-amine
CID 124029842
1,1,1-Trifluoro-2-[[3-(trifluoromethoxy)cyclohexyl]amino]propan-2-ol
CID 149820458
N-propan-2-yl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 169842777
3-[(4,4-Difluorocyclohexyl)amino]cyclohexan-1-ol
CID 170209590
4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine
CID 170209594
N-[(2S)-butan-2-yl]-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 173769374

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748961) is N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCCCCCNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is YSJBBGIBQRPJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-2-3-4-5-9-18-12-7-6-8-13(10-12)19-11-14(15,16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).