4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol

C14H32N2O — CID 64825186

IUPAC4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCN(C)CC(C)(C)C
InChIInChI=1S/C14H32N2O/c1-12(2)15-14(6,11-17)8-9-16(7)10-13(3,4)5/h12,15,17H,8-11H2,1-7H3
InChIKeyWYAYYNOSFRXKGG-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.10
Rot. Bonds7

About 4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64825186) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID64825186
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCN(C)CC(C)(C)C
InChIInChI=1S/C14H32N2O/c1-12(2)15-14(6,11-17)8-9-16(7)10-13(3,4)5/h12,15,17H,8-11H2,1-7H3
InChIKeyWYAYYNOSFRXKGG-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64792219
2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826225
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825256
2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64795544
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825293
2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64798699
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 79317752
2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 79859172
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64798501
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 64827009

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 64825186) is 4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(C)(CO)CCN(C)CC(C)(C)C.
What is the InChIKey of 4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is WYAYYNOSFRXKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-12(2)15-14(6,11-17)8-9-16(7)10-13(3,4)5/h12,15,17H,8-11H2,1-7H3.
What are the key properties of 4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64825186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).