N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine

C16H33NO — CID 64751794

IUPACN-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1OCCCC(C)C
InChIInChI=1S/C16H33NO/c1-6-17-15-11-13(4)10-14(5)16(15)18-9-7-8-12(2)3/h12-17H,6-11H2,1-5H3
InChIKeyUEKWHMMRBKSLOJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds7

About N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine (PubChem CID 64751794) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
PubChem CID64751794
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1OCCCC(C)C
InChIInChI=1S/C16H33NO/c1-6-17-15-11-13(4)10-14(5)16(15)18-9-7-8-12(2)3/h12-17H,6-11H2,1-5H3
InChIKeyUEKWHMMRBKSLOJ-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
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

N-ethyl-2-hexoxy-3,5-dimethylcyclohexan-1-amine
CID 64752582
N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
CID 64753175
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781
2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 66234496
N,3,5-trimethyl-2-pentoxycyclohexan-1-amine
CID 64753575
2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752974
2-heptoxy-N,3,5-trimethylcyclohexan-1-amine
CID 64752776
2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751601
N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,5-dimethylcyclohexan-1-amine
CID 102721859
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674
2-cyclobutyloxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64752392
2-(2-cyclopropylethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 106200648

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine (CID 64751794) is N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine is CCNC1CC(C)CC(C)C1OCCCC(C)C.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine?
The InChIKey is UEKWHMMRBKSLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-17-15-11-13(4)10-14(5)16(15)18-9-7-8-12(2)3/h12-17H,6-11H2,1-5H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine is sourced from PubChem (CID 64751794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).