1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol

C13H28N2O — CID 63169311

IUPAC1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
SMILESCN(C)C1CCN(CCC(O)C(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-13(2,3)12(16)7-9-15-8-6-11(10-15)14(4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyQDIZARSTWIWDCA-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds4

About 1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol

1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol (PubChem CID 63169311) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
PubChem CID63169311
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
SMILESCN(C)C1CCN(CCC(O)C(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-13(2,3)12(16)7-9-15-8-6-11(10-15)14(4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyQDIZARSTWIWDCA-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623574
1-[3-(methoxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 64581992
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 103935148
1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623930
4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol
CID 81200552
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167315
4,4-dimethyl-1-morpholin-4-ylpentan-3-ol
CID 62622858
1-amino-4-[4-(dimethylamino)piperidin-1-yl]butan-2-ol
CID 64821111
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126594
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutan-1-ol
CID 64791718
1-(4-aminobutyl)-N,N-dimethylpyrrolidin-3-amine
CID 63166062

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol (CID 63169311) is 1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol is CN(C)C1CCN(CCC(O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol?
The InChIKey is QDIZARSTWIWDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)12(16)7-9-15-8-6-11(10-15)14(4)5/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol?
1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 63169311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).