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

C13H27NO2 — CID 103490795

IUPACN-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
SMILESCCOCC(C)OCCNCC1CCCC1
InChIInChI=1S/C13H27NO2/c1-3-15-11-12(2)16-9-8-14-10-13-6-4-5-7-13/h12-14H,3-11H2,1-2H3
InChIKeyPGDQPOUHXIXQRS-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds9

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

N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine (PubChem CID 103490795) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
PubChem CID103490795
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
SMILESCCOCC(C)OCCNCC1CCCC1
InChIInChI=1S/C13H27NO2/c1-3-15-11-12(2)16-9-8-14-10-13-6-4-5-7-13/h12-14H,3-11H2,1-2H3
InChIKeyPGDQPOUHXIXQRS-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
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-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103490752
N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
CID 55194759
N-(dicyclopropylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103490801
N-[2-(1-ethoxypropan-2-yloxy)ethyl]-3-methoxypropan-1-amine
CID 103490751
N-[2-(1-ethoxypropan-2-yloxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 103490717
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63932403
N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
CID 81094480

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine (CID 103490795) is N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine is CCOCC(C)OCCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The InChIKey is PGDQPOUHXIXQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-15-11-12(2)16-9-8-14-10-13-6-4-5-7-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine is sourced from PubChem (CID 103490795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).