6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol

C13H28N2O — CID 106802390

IUPAC6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol
SMILESCCC(O)CCCN1CCCC1CN(C)C
InChIInChI=1S/C13H28N2O/c1-4-13(16)8-6-10-15-9-5-7-12(15)11-14(2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyUKOKLFSASHSHSI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.56
Rot. Bonds7

About 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol

6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol (PubChem CID 106802390) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol
PubChem CID106802390
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol
SMILESCCC(O)CCCN1CCCC1CN(C)C
InChIInChI=1S/C13H28N2O/c1-4-13(16)8-6-10-15-9-5-7-12(15)11-14(2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyUKOKLFSASHSHSI-UHFFFAOYSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentan-2-ol
CID 62887965
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)hexan-3-ol
CID 106802440
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 62886637
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-amine
CID 62886971
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine
CID 62889374
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide
CID 63055063
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808690
4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine
CID 19846007
6-(3-ethylpiperidin-1-yl)hexan-3-ol
CID 106802295
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454779
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62886265

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol?
The IUPAC name of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol (CID 106802390) is 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol is CCC(O)CCCN1CCCC1CN(C)C.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol?
The InChIKey is UKOKLFSASHSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(16)8-6-10-15-9-5-7-12(15)11-14(2)3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol?
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol is sourced from PubChem (CID 106802390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).