N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine

C15H31NO — CID 62597448

IUPACN-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
SMILESCCCCCCOCCNC1CCCC(C)C1
InChIInChI=1S/C15H31NO/c1-3-4-5-6-11-17-12-10-16-15-9-7-8-14(2)13-15/h14-16H,3-13H2,1-2H3
InChIKeyGBPUBTPAXHJXTF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine

N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine (PubChem CID 62597448) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
PubChem CID62597448
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
SMILESCCCCCCOCCNC1CCCC(C)C1
InChIInChI=1S/C15H31NO/c1-3-4-5-6-11-17-12-10-16-15-9-7-8-14(2)13-15/h14-16H,3-13H2,1-2H3
InChIKeyGBPUBTPAXHJXTF-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
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-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 61483630
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-(2-cycloheptyloxyethyl)-3-methylcyclohexan-1-amine
CID 62585347
3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine
CID 62583661
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
N-(2-pentoxyethyl)oxan-4-amine
CID 63099879

Frequently Asked Questions

What is the IUPAC name of N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine?
The IUPAC name of N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine (CID 62597448) is N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine is CCCCCCOCCNC1CCCC(C)C1.
What is the InChIKey of N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine?
The InChIKey is GBPUBTPAXHJXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-4-5-6-11-17-12-10-16-15-9-7-8-14(2)13-15/h14-16H,3-13H2,1-2H3.
What are the key properties of N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine?
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 62597448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).