2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol

C14H28N2O2 — CID 81065079

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol
SMILESCCOCCN(C)CC(CO)(NC1CC1)C1CC1
InChIInChI=1S/C14H28N2O2/c1-3-18-9-8-16(2)10-14(11-17,12-4-5-12)15-13-6-7-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeySMOYECWQFOZQES-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.85
Rot. Bonds10

About 2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol (PubChem CID 81065079) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol
PubChem CID81065079
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol
SMILESCCOCCN(C)CC(CO)(NC1CC1)C1CC1
InChIInChI=1S/C14H28N2O2/c1-3-18-9-8-16(2)10-14(11-17,12-4-5-12)15-13-6-7-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeySMOYECWQFOZQES-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
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

2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol
CID 64796552
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propyl)amino]propan-1-ol
CID 64796814
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798775
2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 64825994
2-cyclopropyl-3-[2-methoxyethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64826993
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol
CID 64798076
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64790212
2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol
CID 64826170
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 81063258
2-amino-2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81062105
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
CID 81061750
2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64790469

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol (CID 81065079) is 2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol is CCOCCN(C)CC(CO)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol?
The InChIKey is SMOYECWQFOZQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-18-9-8-16(2)10-14(11-17,12-4-5-12)15-13-6-7-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 81065079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).