1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol

C13H27NO3 — CID 113226892

IUPAC1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCC(C)C1CC1
InChIInChI=1S/C13H27NO3/c1-3-16-6-7-17-10-13(15)9-14-8-11(2)12-4-5-12/h11-15H,3-10H2,1-2H3
InChIKeyKRQJQXYYFHZWHM-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.04
Rot. Bonds11

About 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol

1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 113226892) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID113226892
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCC(C)C1CC1
InChIInChI=1S/C13H27NO3/c1-3-16-6-7-17-10-13(15)9-14-8-11(2)12-4-5-12/h11-15H,3-10H2,1-2H3
InChIKeyKRQJQXYYFHZWHM-UHFFFAOYSA-N
XLogP1.04
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63965158
1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 114097862
1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 81393423
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005279
1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 114099796
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174317
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(2-cyclopropylpropan-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 104577915

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol (CID 113226892) is 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNCC(C)C1CC1.
What is the InChIKey of 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is KRQJQXYYFHZWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-16-6-7-17-10-13(15)9-14-8-11(2)12-4-5-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol?
1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 245.36 g/mol, XLogP of 1.04, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 113226892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).