3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol

C13H28N2O — CID 114357448

IUPAC3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol
SMILESCC(C)CC(N)C(CO)N1CC(C)C(C)C1
InChIInChI=1S/C13H28N2O/c1-9(2)5-12(14)13(8-16)15-6-10(3)11(4)7-15/h9-13,16H,5-8,14H2,1-4H3
InChIKeyOUHUQRCHIAVRGD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.31
Rot. Bonds5

About 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol

3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol (PubChem CID 114357448) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol
PubChem CID114357448
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol
SMILESCC(C)CC(N)C(CO)N1CC(C)C(C)C1
InChIInChI=1S/C13H28N2O/c1-9(2)5-12(14)13(8-16)15-6-10(3)11(4)7-15/h9-13,16H,5-8,14H2,1-4H3
InChIKeyOUHUQRCHIAVRGD-UHFFFAOYSA-N
XLogP1.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol (CID 114357448) is 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol is CC(C)CC(N)C(CO)N1CC(C)C(C)C1.
What is the InChIKey of 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol?
The InChIKey is OUHUQRCHIAVRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-9(2)5-12(14)13(8-16)15-6-10(3)11(4)7-15/h9-13,16H,5-8,14H2,1-4H3.
What are the key properties of 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol?
3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol is sourced from PubChem (CID 114357448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).