N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

C14H26F3NO — CID 55093564

IUPACN-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNC(CCCOCC(F)(F)F)C1CCC(C)CC1
InChIInChI=1S/C14H26F3NO/c1-11-5-7-12(8-6-11)13(18-2)4-3-9-19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyAMIIGPNXAAAKSN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds7

About N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 55093564) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID55093564
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNC(CCCOCC(F)(F)F)C1CCC(C)CC1
InChIInChI=1S/C14H26F3NO/c1-11-5-7-12(8-6-11)13(18-2)4-3-9-19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyAMIIGPNXAAAKSN-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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Related Compounds

1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
CID 90980813
N-[difluoro-[4-(5-methyloxan-2-yl)cyclohexyl]methyl]-3,4,5-trifluorocyclohexan-1-amine
CID 144349383
2-(3-Methoxycyclohexyl)-5-(trifluoromethyl)piperidine
CID 5231219
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961873
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 55093564) is N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is CNC(CCCOCC(F)(F)F)C1CCC(C)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is AMIIGPNXAAAKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11-5-7-12(8-6-11)13(18-2)4-3-9-19-10-14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-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-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 55093564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).