1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol

C17H28N2O — CID 111489897

IUPAC1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)CN1CCC(C)(C)C1
InChIInChI=1S/C17H28N2O/c1-17(2)9-10-19(14-17)13-16(20)12-18(3)11-15-7-5-4-6-8-15/h4-8,16,20H,9-14H2,1-3H3
InChIKeyAYCMAVIWZLMJNZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.21
Rot. Bonds6

About 1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol

1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol (PubChem CID 111489897) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
PubChem CID111489897
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
SMILESCN(Cc1ccccc1)CC(O)CN1CCC(C)(C)C1
InChIInChI=1S/C17H28N2O/c1-17(2)9-10-19(14-17)13-16(20)12-18(3)11-15-7-5-4-6-8-15/h4-8,16,20H,9-14H2,1-3H3
InChIKeyAYCMAVIWZLMJNZ-UHFFFAOYSA-N
XLogP2.21
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-[benzyl(methyl)amino]propan-2-ol;2,2,2-trifluoroacetic acid
CID 166269344
4-[4-[3-[benzyl(methyl)amino]-2-hydroxypropyl]piperazin-1-yl]benzenesulfonamide
CID 86882570
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol
CID 110929917
4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 82770051
1-[3-[benzyl(methyl)amino]-2-hydroxypropyl]-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
CID 111448473
2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide
CID 166191408
1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111462643
1-[(2R)-3-[benzyl(methyl)amino]-2-hydroxypropyl]-5-nitropyridin-2-one
CID 96998510
1-[benzyl(methyl)amino]-3-(3-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 86886293
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
1-[benzyl(methyl)amino]-3-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56802826

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol (CID 111489897) is 1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol is CN(Cc1ccccc1)CC(O)CN1CCC(C)(C)C1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is AYCMAVIWZLMJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2)9-10-19(14-17)13-16(20)12-18(3)11-15-7-5-4-6-8-15/h4-8,16,20H,9-14H2,1-3H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol?
1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 111489897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).