1-(2-butoxyethyl)-2-methylcyclohexan-1-amine

C13H27NO — CID 115001863

IUPAC1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
SMILESCCCCOCCC1(N)CCCCC1C
InChIInChI=1S/C13H27NO/c1-3-4-10-15-11-9-13(14)8-6-5-7-12(13)2/h12H,3-11,14H2,1-2H3
InChIKeyUXWWFMYQSXDTSJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.10
Rot. Bonds6

About 1-(2-butoxyethyl)-2-methylcyclohexan-1-amine

1-(2-butoxyethyl)-2-methylcyclohexan-1-amine (PubChem CID 115001863) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
PubChem CID115001863
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
SMILESCCCCOCCC1(N)CCCCC1C
InChIInChI=1S/C13H27NO/c1-3-4-10-15-11-9-13(14)8-6-5-7-12(13)2/h12H,3-11,14H2,1-2H3
InChIKeyUXWWFMYQSXDTSJ-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.10
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-(2-butoxyethyl)-4-methylcyclohexan-1-amine
CID 62620295
1-butyl-2-tert-butylcyclohexan-1-amine
CID 63408346
1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 65444722
1-butylcyclohexane-1,2-diamine;dihydrochloride
CID 174736992
1-(2-butoxyethoxymethyl)cycloheptan-1-amine
CID 64548962
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
CID 66048902
1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine
CID 70445750
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
1-butyl-2-cyclohexylcyclohexan-1-amine
CID 55187524
2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
CID 82239429
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclohexane-1-carbonitrile
CID 104568465

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-2-methylcyclohexan-1-amine?
The IUPAC name of 1-(2-butoxyethyl)-2-methylcyclohexan-1-amine (CID 115001863) is 1-(2-butoxyethyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-butoxyethyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2-butoxyethyl)-2-methylcyclohexan-1-amine is CCCCOCCC1(N)CCCCC1C.
What is the InChIKey of 1-(2-butoxyethyl)-2-methylcyclohexan-1-amine?
The InChIKey is UXWWFMYQSXDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-10-15-11-9-13(14)8-6-5-7-12(13)2/h12H,3-11,14H2,1-2H3.
What are the key properties of 1-(2-butoxyethyl)-2-methylcyclohexan-1-amine?
1-(2-butoxyethyl)-2-methylcyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 115001863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).