[4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine

C14H27F3N2O — CID 103026334

IUPAC[4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-13(2,20-3)8-7-12(19-18)10-5-4-6-11(9-10)14(15,16)17/h10-12,19H,4-9,18H2,1-3H3
InChIKeyMBXNRIWLCPEKNT-UHFFFAOYSA-N
MW296.38 g/mol
LogP3.39
Rot. Bonds6

About [4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine

[4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine (PubChem CID 103026334) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is [4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
PubChem CID103026334
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name[4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-13(2,20-3)8-7-12(19-18)10-5-4-6-11(9-10)14(15,16)17/h10-12,19H,4-9,18H2,1-3H3
InChIKeyMBXNRIWLCPEKNT-UHFFFAOYSA-N
XLogP3.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025443
[1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026280
(1,1,1-Trifluoro-7-methoxy-7-methyloctan-4-yl)hydrazine
CID 103026297
[4-Methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026395
(1,1,1-Trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine
CID 103026460
[4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026483
4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 103031844
4-Methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 103031991
1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentan-1-amine
CID 103032005
[1-(5-Oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151509
[1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151539
[1-(6-Oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151562

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine?
The IUPAC name of [4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine (CID 103026334) is [4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine.
What is the SMILES notation for [4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine?
The canonical SMILES for [4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine is COC(C)(C)CCC(NN)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of [4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine?
The InChIKey is MBXNRIWLCPEKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-13(2,20-3)8-7-12(19-18)10-5-4-6-11(9-10)14(15,16)17/h10-12,19H,4-9,18H2,1-3H3.
What are the key properties of [4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine?
[4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine has a molecular weight of 296.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine is sourced from PubChem (CID 103026334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).