1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol

C13H28N2O2 — CID 63931748

IUPAC1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCCN(C)C1CCCC1
InChIInChI=1S/C13H28N2O2/c1-3-17-11-13(16)10-14-8-9-15(2)12-6-4-5-7-12/h12-14,16H,3-11H2,1-2H3
InChIKeyUPGWPQBPGQRAJD-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds9

About 1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol

1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol (PubChem CID 63931748) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol
PubChem CID63931748
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCCN(C)C1CCCC1
InChIInChI=1S/C13H28N2O2/c1-3-17-11-13(16)10-14-8-9-15(2)12-6-4-5-7-12/h12-14,16H,3-11H2,1-2H3
InChIKeyUPGWPQBPGQRAJD-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-hexoxypropan-2-ol
CID 55142384
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 62977059
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62977053
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
(2S)-3-[3-[cyclohexyl(methyl)amino]propylamino]propane-1,2-diol
CID 61142942
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-cyclopentyloxy-3-[2-[ethyl(methyl)amino]ethylamino]propan-2-ol
CID 62636791
1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
CID 63931930
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 62977404
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol (CID 63931748) is 1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol is CCOCC(O)CNCCN(C)C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol?
The InChIKey is UPGWPQBPGQRAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-17-11-13(16)10-14-8-9-15(2)12-6-4-5-7-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol?
1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethylamino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63931748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).