5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine

C23H51N3O2 — CID 158872949

IUPAC5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCCCCO)C(C)C.CC(C)N(CCN1CCOCC1)C(C)C
InChIInChI=1S/C12H26N2O.C11H25NO/c1-11(2)14(12(3)4)6-5-13-7-9-15-10-8-13;1-10(2)12(11(3)4)8-6-5-7-9-13/h11-12H,5-10H2,1-4H3;10-11,13H,5-9H2,1-4H3
InChIKeyJCBMWMWPFFQRAZ-UHFFFAOYSA-N
MW401.68 g/mol
LogP3.71
Rot. Bonds12

About 5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine

5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 158872949) has the molecular formula C23H51N3O2 and a molecular weight of 401.68 g/mol. Its IUPAC name is 5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine
PubChem CID158872949
Molecular FormulaC23H51N3O2
Molecular Weight401.68 g/mol
Exact Mass401.40
IUPAC Name5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCCCCO)C(C)C.CC(C)N(CCN1CCOCC1)C(C)C
InChIInChI=1S/C12H26N2O.C11H25NO/c1-11(2)14(12(3)4)6-5-13-7-9-15-10-8-13;1-10(2)12(11(3)4)8-6-5-7-9-13/h11-12H,5-10H2,1-4H3;10-11,13H,5-9H2,1-4H3
InChIKeyJCBMWMWPFFQRAZ-UHFFFAOYSA-N
XLogP3.71
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine (CID 158872949) is 5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(CCCCCO)C(C)C.CC(C)N(CCN1CCOCC1)C(C)C.
What is the InChIKey of 5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is JCBMWMWPFFQRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.C11H25NO/c1-11(2)14(12(3)4)6-5-13-7-9-15-10-8-13;1-10(2)12(11(3)4)8-6-5-7-9-13/h11-12H,5-10H2,1-4H3;10-11,13H,5-9H2,1-4H3.
What are the key properties of 5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine?
5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 401.68 g/mol, XLogP of 3.71, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(propan-2-yl)amino]pentan-1-ol;N-(2-morpholin-4-ylethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 158872949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).