1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol

C12H26N2O3 — CID 113317500

IUPAC1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN(CCOC)C1CC1
InChIInChI=1S/C12H26N2O3/c1-16-7-5-13-9-12(15)10-14(6-8-17-2)11-3-4-11/h11-13,15H,3-10H2,1-2H3
InChIKeyRKQIDSKWIZRFIN-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.31
Rot. Bonds11

About 1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol

1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 113317500) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
PubChem CID113317500
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN(CCOC)C1CC1
InChIInChI=1S/C12H26N2O3/c1-16-7-5-13-9-12(15)10-14(6-8-17-2)11-3-4-11/h11-13,15H,3-10H2,1-2H3
InChIKeyRKQIDSKWIZRFIN-UHFFFAOYSA-N
XLogP-0.31
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
CID 115475087
1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol
CID 43270304
4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid
CID 82770599
1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 115475131
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317593
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317594
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451815
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol (CID 113317500) is 1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CN(CCOC)C1CC1.
What is the InChIKey of 1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is RKQIDSKWIZRFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-16-7-5-13-9-12(15)10-14(6-8-17-2)11-3-4-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol?
1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 246.35 g/mol, XLogP of -0.31, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 113317500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).