N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine

C14H29NO2 — CID 103490752

IUPACN-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
SMILESCCOCC(C)OCCNCC1CCCCC1
InChIInChI=1S/C14H29NO2/c1-3-16-12-13(2)17-10-9-15-11-14-7-5-4-6-8-14/h13-15H,3-12H2,1-2H3
InChIKeyYZSIHJBAUJESOG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds9

About N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine

N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine (PubChem CID 103490752) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
PubChem CID103490752
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
SMILESCCOCC(C)OCCNCC1CCCCC1
InChIInChI=1S/C14H29NO2/c1-3-16-12-13(2)17-10-9-15-11-14-7-5-4-6-8-14/h13-15H,3-12H2,1-2H3
InChIKeyYZSIHJBAUJESOG-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103490795
N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
CID 55194759
N-(dicyclopropylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103490801
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
N-[2-(1-ethoxypropan-2-yloxy)ethyl]-3-methoxypropan-1-amine
CID 103490751
N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
CID 81094480
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271077
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63932403

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine (CID 103490752) is N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine is CCOCC(C)OCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The InChIKey is YZSIHJBAUJESOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-16-12-13(2)17-10-9-15-11-14-7-5-4-6-8-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine is sourced from PubChem (CID 103490752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).