2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol

C15H32N2O — CID 64825369

IUPAC2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol
SMILESCCCCCN(CC(CO)(NC)C1CC1)C(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-7-10-17(13(2)3)11-15(12-18,16-4)14-8-9-14/h13-14,16,18H,5-12H2,1-4H3
InChIKeyLCHCIQPGQKOMPU-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds10

About 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol

2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol (PubChem CID 64825369) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol
PubChem CID64825369
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol
SMILESCCCCCN(CC(CO)(NC)C1CC1)C(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-7-10-17(13(2)3)11-15(12-18,16-4)14-8-9-14/h13-14,16,18H,5-12H2,1-4H3
InChIKeyLCHCIQPGQKOMPU-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol (CID 64825369) is 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol is CCCCCN(CC(CO)(NC)C1CC1)C(C)C.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is LCHCIQPGQKOMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-7-10-17(13(2)3)11-15(12-18,16-4)14-8-9-14/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol?
2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 64825369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).