N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine

C14H29NO — CID 61483668

IUPACN-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCC1CCCCC1
InChIInChI=1S/C14H29NO/c1-13(2)8-10-16-11-9-15-12-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyOPEGXJXSZVVZEY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds8

About N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine

N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine (PubChem CID 61483668) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
PubChem CID61483668
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCC1CCCCC1
InChIInChI=1S/C14H29NO/c1-13(2)8-10-16-11-9-15-12-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyOPEGXJXSZVVZEY-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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

3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol
CID 66006380
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
N-[(3-chlorocyclopentyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 106121063
2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633835
N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine
CID 62582719
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
2-(3-methylbutoxy)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585393
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81393303
2-(3-methylbutoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897138

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine (CID 61483668) is N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine is CC(C)CCOCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine?
The InChIKey is OPEGXJXSZVVZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2)8-10-16-11-9-15-12-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine?
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 61483668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).