2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol

C13H28N2O — CID 64825876

IUPAC2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CCC(C)C1
InChIInChI=1S/C13H28N2O/c1-4-7-14-13(3,11-16)6-9-15-8-5-12(2)10-15/h12,14,16H,4-11H2,1-3H3
InChIKeyQFLQWLLGBDSWJZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds7

About 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol

2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol (PubChem CID 64825876) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
PubChem CID64825876
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CCC(C)C1
InChIInChI=1S/C13H28N2O/c1-4-7-14-13(3,11-16)6-9-15-8-5-12(2)10-15/h12,14,16H,4-11H2,1-3H3
InChIKeyQFLQWLLGBDSWJZ-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
CID 64798009
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 102968930
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64795537
2-methyl-4-morpholin-4-yl-2-(propylamino)butan-1-ol
CID 64795842
2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597539
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
2-amino-2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol
CID 64828070
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 65286693
6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789152
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutan-1-ol
CID 64791718
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol?
The IUPAC name of 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol (CID 64825876) is 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol?
The canonical SMILES for 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN1CCC(C)C1.
What is the InChIKey of 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol?
The InChIKey is QFLQWLLGBDSWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-14-13(3,11-16)6-9-15-8-5-12(2)10-15/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol?
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64825876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).