3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol

C14H33N3O — CID 103192144

IUPAC3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN(CC)C(C)CN(C)C
InChIInChI=1S/C14H33N3O/c1-7-9-15-14(4,12-18)11-17(8-2)13(3)10-16(5)6/h13,15,18H,7-12H2,1-6H3
InChIKeyBRTQYPRTNLMCMP-UHFFFAOYSA-N
MW259.44 g/mol
LogP1.01
Rot. Bonds10

About 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol

3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol (PubChem CID 103192144) has the molecular formula C14H33N3O and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol
PubChem CID103192144
Molecular FormulaC14H33N3O
Molecular Weight259.44 g/mol
Exact Mass259.26
IUPAC Name3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN(CC)C(C)CN(C)C
InChIInChI=1S/C14H33N3O/c1-7-9-15-14(4,12-18)11-17(8-2)13(3)10-16(5)6/h13,15,18H,7-12H2,1-6H3
InChIKeyBRTQYPRTNLMCMP-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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Related Compounds

3-[ethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64795479
2-methyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64798662
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64827091
2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64826760
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64792229
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
CID 103190449
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2,3-dimethylbutan-2-ol
CID 103190439
5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)pentanamide
CID 103191019
2-methyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentan-1-ol
CID 64796336
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64798088
2-methyl-5-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64827398
3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64825469

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol (CID 103192144) is 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(CO)CN(CC)C(C)CN(C)C.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is BRTQYPRTNLMCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O/c1-7-9-15-14(4,12-18)11-17(8-2)13(3)10-16(5)6/h13,15,18H,7-12H2,1-6H3.
What are the key properties of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol?
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-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 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 103192144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).