1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol

C13H28N2O2 — CID 113317593

IUPAC1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN(C)CC1CCCC1
InChIInChI=1S/C13H28N2O2/c1-15(10-12-5-3-4-6-12)11-13(16)9-14-7-8-17-2/h12-14,16H,3-11H2,1-2H3
InChIKeyTWBWDNNBDBWRLJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.71
Rot. Bonds9

About 1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol

1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 113317593) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
PubChem CID113317593
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN(C)CC1CCCC1
InChIInChI=1S/C13H28N2O2/c1-15(10-12-5-3-4-6-12)11-13(16)9-14-7-8-17-2/h12-14,16H,3-11H2,1-2H3
InChIKeyTWBWDNNBDBWRLJ-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
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-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
1-[cyclobutylmethyl(methyl)amino]-3-(methylamino)propan-2-ol
CID 62860043
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317500
1-[cyclopropylmethyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 60983945
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol
CID 112561400
1-cyclopentyl-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 103159826
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
3-cyclohexyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725662

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol (CID 113317593) is 1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CN(C)CC1CCCC1.
What is the InChIKey of 1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is TWBWDNNBDBWRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-15(10-12-5-3-4-6-12)11-13(16)9-14-7-8-17-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 113317593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).