4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol

C14H33N3O — CID 64790359

IUPAC4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCCCN(CCN(C)C)C(C)CC(C)(CO)NC
InChIInChI=1S/C14H33N3O/c1-7-8-17(10-9-16(5)6)13(2)11-14(3,12-18)15-4/h13,15,18H,7-12H2,1-6H3
InChIKeyRITVPUCBDQZHGF-UHFFFAOYSA-N
MW259.44 g/mol
LogP1.01
Rot. Bonds10

About 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol

4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64790359) has the molecular formula C14H33N3O and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64790359
Molecular FormulaC14H33N3O
Molecular Weight259.44 g/mol
Exact Mass259.26
IUPAC Name4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCCCN(CCN(C)C)C(C)CC(C)(CO)NC
InChIInChI=1S/C14H33N3O/c1-7-8-17(10-9-16(5)6)13(2)11-14(3,12-18)15-4/h13,15,18H,7-12H2,1-6H3
InChIKeyRITVPUCBDQZHGF-UHFFFAOYSA-N
XLogP1.01
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol (CID 64790359) is 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol is CCCN(CCN(C)C)C(C)CC(C)(CO)NC.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is RITVPUCBDQZHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O/c1-7-8-17(10-9-16(5)6)13(2)11-14(3,12-18)15-4/h13,15,18H,7-12H2,1-6H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol?
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 259.44 g/mol, XLogP of 1.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64790359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).