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

C17H32N2O2 — CID 64826170

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol
SMILESCOCCN(CC(CO)(NC1CC1)C1CC1)C(C)C1CC1
InChIInChI=1S/C17H32N2O2/c1-13(14-3-4-14)19(9-10-21-2)11-17(12-20,15-5-6-15)18-16-7-8-16/h13-16,18,20H,3-12H2,1-2H3
InChIKeyQKGHGIXATGSNGE-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.63
Rot. Bonds11

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

2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol (PubChem CID 64826170) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol
PubChem CID64826170
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol
SMILESCOCCN(CC(CO)(NC1CC1)C1CC1)C(C)C1CC1
InChIInChI=1S/C17H32N2O2/c1-13(14-3-4-14)19(9-10-21-2)11-17(12-20,15-5-6-15)18-16-7-8-16/h13-16,18,20H,3-12H2,1-2H3
InChIKeyQKGHGIXATGSNGE-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol (CID 64826170) is 2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol is COCCN(CC(CO)(NC1CC1)C1CC1)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol?
The InChIKey is QKGHGIXATGSNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(14-3-4-14)19(9-10-21-2)11-17(12-20,15-5-6-15)18-16-7-8-16/h13-16,18,20H,3-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol has a molecular weight of 296.45 g/mol, XLogP of 1.63, 11 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-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol is sourced from PubChem (CID 64826170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).