(3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine

C20H40N2O — CID 146255178

IUPAC(3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine
SMILESCN1CCC[C@@H]1CC(C)(C)CC1C[C@@H](NCCC(C)(C)C)CO1
InChIInChI=1S/C20H40N2O/c1-19(2,3)9-10-21-16-12-18(23-15-16)14-20(4,5)13-17-8-7-11-22(17)6/h16-18,21H,7-15H2,1-6H3/t16-,17-,18?/m1/s1
InChIKeyUKXHIZXKWPUTAQ-OWZOALSMSA-N
MW324.55 g/mol
LogP4.07
Rot. Bonds7

About (3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine

(3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine (PubChem CID 146255178) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is (3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine
PubChem CID146255178
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name(3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine
SMILESCN1CCC[C@@H]1CC(C)(C)CC1C[C@@H](NCCC(C)(C)C)CO1
InChIInChI=1S/C20H40N2O/c1-19(2,3)9-10-21-16-12-18(23-15-16)14-20(4,5)13-17-8-7-11-22(17)6/h16-18,21H,7-15H2,1-6H3/t16-,17-,18?/m1/s1
InChIKeyUKXHIZXKWPUTAQ-OWZOALSMSA-N
XLogP4.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine?
The IUPAC name of (3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine (CID 146255178) is (3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine.
What is the SMILES notation for (3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine?
The canonical SMILES for (3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine is CN1CCC[C@@H]1CC(C)(C)CC1C[C@@H](NCCC(C)(C)C)CO1.
What is the InChIKey of (3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine?
The InChIKey is UKXHIZXKWPUTAQ-OWZOALSMSA-N. The full InChI is InChI=1S/C20H40N2O/c1-19(2,3)9-10-21-16-12-18(23-15-16)14-20(4,5)13-17-8-7-11-22(17)6/h16-18,21H,7-15H2,1-6H3/t16-,17-,18?/m1/s1.
What are the key properties of (3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine?
(3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine has a molecular weight of 324.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine is sourced from PubChem (CID 146255178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).