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

C15H35N3O — CID 64790162

IUPAC4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN(CCC)CCN(C)C
InChIInChI=1S/C15H35N3O/c1-6-9-16-15(3,14-19)8-11-18(10-7-2)13-12-17(4)5/h16,19H,6-14H2,1-5H3
InChIKeyPGTRMOBACREGDG-UHFFFAOYSA-N
MW273.46 g/mol
LogP1.40
Rot. Bonds12

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

4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 64790162) has the molecular formula C15H35N3O and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol
PubChem CID64790162
Molecular FormulaC15H35N3O
Molecular Weight273.46 g/mol
Exact Mass273.28
IUPAC Name4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN(CCC)CCN(C)C
InChIInChI=1S/C15H35N3O/c1-6-9-16-15(3,14-19)8-11-18(10-7-2)13-12-17(4)5/h16,19H,6-14H2,1-5H3
InChIKeyPGTRMOBACREGDG-UHFFFAOYSA-N
XLogP1.40
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(1,1-Dimethyl-2-hydroxyethyl)-2-methyl-1,2-propanediamine
CID 226842
2-[2-(Tert-butylamino)ethylamino]butan-1-ol
CID 470076
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]-2-methylbutan-1-ol
CID 44447055
Ethanol, 2-((2-(dimethylamino)-1,1-dimethylethyl)amino)-
CID 56139
2-[[2-Amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 134891098
2-Methyl-2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64790295
2-(Ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64790690
2-Methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
CID 64792487
2-Methyl-2-(propan-2-ylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64825289
4-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825293
2-Methyl-2-(propan-2-ylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64825495
2-Methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butan-1-ol
CID 64825684

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol (CID 64790162) is 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN(CCC)CCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is PGTRMOBACREGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O/c1-6-9-16-15(3,14-19)8-11-18(10-7-2)13-12-17(4)5/h16,19H,6-14H2,1-5H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol?
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 273.46 g/mol, XLogP of 1.40, 12 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-(propylamino)butan-1-ol is sourced from PubChem (CID 64790162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).