1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol

C16H34N2O — CID 103358630

IUPAC1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol
SMILESCCCC(C)(CNC(C)(C)C)CN1CCC(C)(O)C1
InChIInChI=1S/C16H34N2O/c1-7-8-15(5,11-17-14(2,3)4)12-18-10-9-16(6,19)13-18/h17,19H,7-13H2,1-6H3
InChIKeyKXBLKBNQEBKCCF-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds6

About 1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol

1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358630) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol
PubChem CID103358630
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol
SMILESCCCC(C)(CNC(C)(C)C)CN1CCC(C)(O)C1
InChIInChI=1S/C16H34N2O/c1-7-8-15(5,11-17-14(2,3)4)12-18-10-9-16(6,19)13-18/h17,19H,7-13H2,1-6H3
InChIKeyKXBLKBNQEBKCCF-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol (CID 103358630) is 1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol is CCCC(C)(CNC(C)(C)C)CN1CCC(C)(O)C1.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol?
The InChIKey is KXBLKBNQEBKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-8-15(5,11-17-14(2,3)4)12-18-10-9-16(6,19)13-18/h17,19H,7-13H2,1-6H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol?
1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).