(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine

C14H29NO — CID 81385232

IUPAC(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
SMILESCCCCOCCN[C@H](C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-3-4-11-16-12-10-15-13(2)14-8-6-5-7-9-14/h13-15H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyQUHKECKUGTWDCE-CYBMUJFWSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About (1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine

(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine (PubChem CID 81385232) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
PubChem CID81385232
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
SMILESCCCCOCCN[C@H](C)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-3-4-11-16-12-10-15-13(2)14-8-6-5-7-9-14/h13-15H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyQUHKECKUGTWDCE-CYBMUJFWSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
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

(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179279
(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81393303
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
CID 107262975
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine?
The IUPAC name of (1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine (CID 81385232) is (1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine.
What is the SMILES notation for (1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine?
The canonical SMILES for (1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine is CCCCOCCN[C@H](C)C1CCCCC1.
What is the InChIKey of (1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine?
The InChIKey is QUHKECKUGTWDCE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-4-11-16-12-10-15-13(2)14-8-6-5-7-9-14/h13-15H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine?
(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine is sourced from PubChem (CID 81385232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).