1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol

C14H32N2O — CID 79377227

IUPAC1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCCNCC(C)(C)CN(CC)CC(C)(C)O
InChIInChI=1S/C14H32N2O/c1-7-9-15-10-13(3,4)11-16(8-2)12-14(5,6)17/h15,17H,7-12H2,1-6H3
InChIKeyMUJGBNJJFHCHOK-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.11
Rot. Bonds9

About 1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol

1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 79377227) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID79377227
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCCNCC(C)(C)CN(CC)CC(C)(C)O
InChIInChI=1S/C14H32N2O/c1-7-9-15-10-13(3,4)11-16(8-2)12-14(5,6)17/h15,17H,7-12H2,1-6H3
InChIKeyMUJGBNJJFHCHOK-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62257945
N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 55226146
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 79377499
2,2,4,4-tetramethyl-N-propylpentan-1-amine
CID 177180730
1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
CID 114448993
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide
CID 78962583
N,N-diethyl-2,2-dimethylpentan-1-amine
CID 91350925
1-[(2-hydroxy-2-methylpropyl)-propylamino]-2-methylpropan-2-ol
CID 175894515
1-[ethyl-[2-(propan-2-ylamino)ethyl]amino]-2-methylpropan-2-ol
CID 79389739
2-ethyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]butan-1-ol
CID 79379955
1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324
1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol
CID 79379941

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol (CID 79377227) is 1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol is CCCNCC(C)(C)CN(CC)CC(C)(C)O.
What is the InChIKey of 1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is MUJGBNJJFHCHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-9-15-10-13(3,4)11-16(8-2)12-14(5,6)17/h15,17H,7-12H2,1-6H3.
What are the key properties of 1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol?
1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 244.42 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79377227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).