4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol

C18H30N2O — CID 97055613

IUPAC4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC(C)(C)CCO
InChIInChI=1S/C18H30N2O/c1-15-11-20(12-16-7-5-4-6-8-16)13-17(15)19-14-18(2,3)9-10-21/h4-8,15,17,19,21H,9-14H2,1-3H3/t15-,17+/m1/s1
InChIKeyXDMCTKREUFRIEM-WBVHZDCISA-N
MW290.45 g/mol
LogP2.51
Rot. Bonds7

About 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol

4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 97055613) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol
PubChem CID97055613
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC(C)(C)CCO
InChIInChI=1S/C18H30N2O/c1-15-11-20(12-16-7-5-4-6-8-16)13-17(15)19-14-18(2,3)9-10-21/h4-8,15,17,19,21H,9-14H2,1-3H3/t15-,17+/m1/s1
InChIKeyXDMCTKREUFRIEM-WBVHZDCISA-N
XLogP2.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 97055439
3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide
CID 98873287
3-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(2-hydroxyethyl)-1-methylurea
CID 98889493
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
N-[4-[2-[[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055470
N-[4-[2-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055469
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 99108818
N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429508

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol (CID 97055613) is 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol is C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC(C)(C)CCO.
What is the InChIKey of 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is XDMCTKREUFRIEM-WBVHZDCISA-N. The full InChI is InChI=1S/C18H30N2O/c1-15-11-20(12-16-7-5-4-6-8-16)13-17(15)19-14-18(2,3)9-10-21/h4-8,15,17,19,21H,9-14H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol?
4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 97055613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).