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

C13H28N2O — CID 114357497

IUPAC3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol
SMILESCC(C)CC(N)C(CO)N1CCC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-10(2)7-11(14)12(8-16)15-6-5-13(3,4)9-15/h10-12,16H,5-9,14H2,1-4H3
InChIKeyQEFIVRFIJSLYJD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.45
Rot. Bonds5

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

3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol (PubChem CID 114357497) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol
PubChem CID114357497
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol
SMILESCC(C)CC(N)C(CO)N1CCC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-10(2)7-11(14)12(8-16)15-6-5-13(3,4)9-15/h10-12,16H,5-9,14H2,1-4H3
InChIKeyQEFIVRFIJSLYJD-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3,3-dimethylpiperidin-1-yl)hexan-1-ol
CID 114357344
3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol
CID 114357448
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol
CID 114357560
3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-ol
CID 104840431
3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol
CID 114357274
3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol
CID 114357158
(2R,3R)-2-(3,3-dimethylazetidin-1-yl)butane-1,3-diol
CID 127011909
3-amino-2-(3,3-dimethylpiperidin-1-yl)propan-1-ol
CID 104711025
3-amino-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-ol
CID 107391776
3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-methylhexan-1-ol
CID 114357196
3-amino-5-methyl-2-pyrazol-1-ylhexan-1-ol
CID 114357650
(2S)-2-amino-1-(4,4-dimethylazepan-1-yl)-4-methylpentan-1-one
CID 65281035

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol (CID 114357497) is 3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol is CC(C)CC(N)C(CO)N1CCC(C)(C)C1.
What is the InChIKey of 3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol?
The InChIKey is QEFIVRFIJSLYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)7-11(14)12(8-16)15-6-5-13(3,4)9-15/h10-12,16H,5-9,14H2,1-4H3.
What are the key properties of 3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol?
3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol is sourced from PubChem (CID 114357497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).