3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine

C14H29NO — CID 61483630

IUPAC3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)CCOCCNC1CCCC(C)C1
InChIInChI=1S/C14H29NO/c1-12(2)7-9-16-10-8-15-14-6-4-5-13(3)11-14/h12-15H,4-11H2,1-3H3
InChIKeyJAEGEYSCQMGLCY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About 3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine

3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine (PubChem CID 61483630) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
PubChem CID61483630
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)CCOCCNC1CCCC(C)C1
InChIInChI=1S/C14H29NO/c1-12(2)7-9-16-10-8-15-14-6-4-5-13(3)11-14/h12-15H,4-11H2,1-3H3
InChIKeyJAEGEYSCQMGLCY-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
N-(2-cycloheptyloxyethyl)-3-methylcyclohexan-1-amine
CID 62585347
(7R,8aR)-N-[2-(3-methylbutoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 97236856
3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine
CID 115653141
3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine
CID 62583661
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-[2-(3-methylbutoxy)ethyl]pyrrolidin-3-amine
CID 79741223
3-methyl-N-(2-methylpropoxy)cyclohexan-1-amine
CID 82710052

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine (CID 61483630) is 3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine is CC(C)CCOCCNC1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
The InChIKey is JAEGEYSCQMGLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)7-9-16-10-8-15-14-6-4-5-13(3)11-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine?
3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 61483630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).