2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol

C13H29N3O — CID 64787073

IUPAC2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol
SMILESCCNC(C)(CO)CN1CCN(C)C(CC)C1
InChIInChI=1S/C13H29N3O/c1-5-12-9-16(8-7-15(12)4)10-13(3,11-17)14-6-2/h12,14,17H,5-11H2,1-4H3
InChIKeyUHURXQVXMMJNOW-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds6

About 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol

2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol (PubChem CID 64787073) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol
PubChem CID64787073
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol
SMILESCCNC(C)(CO)CN1CCN(C)C(CC)C1
InChIInChI=1S/C13H29N3O/c1-5-12-9-16(8-7-15(12)4)10-13(3,11-17)14-6-2/h12,14,17H,5-11H2,1-4H3
InChIKeyUHURXQVXMMJNOW-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropanoate
CID 55217174
2-(ethylamino)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64798661
2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol
CID 64787261
3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol
CID 64826782
2-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)-2-methylpropan-1-ol
CID 64790954
2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol
CID 64790790
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(propylamino)propanoic acid
CID 63634896
3-(2,6-dimethylmorpholin-4-yl)-2-(ethylamino)-2-methylpropan-1-ol
CID 64795630
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
CID 63634175
2-(ethylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64798507
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79360842
2-(ethylamino)-2-methyl-3-(4-methylazepan-1-yl)propan-1-ol
CID 64788999

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol (CID 64787073) is 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol is CCNC(C)(CO)CN1CCN(C)C(CC)C1.
What is the InChIKey of 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol?
The InChIKey is UHURXQVXMMJNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-12-9-16(8-7-15(12)4)10-13(3,11-17)14-6-2/h12,14,17H,5-11H2,1-4H3.
What are the key properties of 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol?
2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 64787073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).