2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol

C15H30N2O2 — CID 64791196

IUPAC2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
SMILESCN(CCC(C)(CO)NC1CC1)CC1CCOCC1
InChIInChI=1S/C15H30N2O2/c1-15(12-18,16-14-3-4-14)7-8-17(2)11-13-5-9-19-10-6-13/h13-14,16,18H,3-12H2,1-2H3
InChIKeyIWVSUUXUDRYEDW-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.24
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol

2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol (PubChem CID 64791196) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
PubChem CID64791196
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
SMILESCN(CCC(C)(CO)NC1CC1)CC1CCOCC1
InChIInChI=1S/C15H30N2O2/c1-15(12-18,16-14-3-4-14)7-8-17(2)11-13-5-9-19-10-6-13/h13-14,16,18H,3-12H2,1-2H3
InChIKeyIWVSUUXUDRYEDW-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol (CID 64791196) is 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol is CN(CCC(C)(CO)NC1CC1)CC1CCOCC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol?
The InChIKey is IWVSUUXUDRYEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(12-18,16-14-3-4-14)7-8-17(2)11-13-5-9-19-10-6-13/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol?
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol has a molecular weight of 270.42 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 64791196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).