[4-(diethylaminomethyl)pyrrolidin-3-yl]methanol

C10H22N2O — CID 18723534

IUPAC[4-(diethylaminomethyl)pyrrolidin-3-yl]methanol
SMILESCCN(CC)CC1CNCC1CO
InChIInChI=1S/C10H22N2O/c1-3-12(4-2)7-9-5-11-6-10(9)8-13/h9-11,13H,3-8H2,1-2H3
InChIKeyNHHYLFFHSVRPAL-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.16
Rot. Bonds5

About [4-(diethylaminomethyl)pyrrolidin-3-yl]methanol

[4-(diethylaminomethyl)pyrrolidin-3-yl]methanol (PubChem CID 18723534) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is [4-(diethylaminomethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(diethylaminomethyl)pyrrolidin-3-yl]methanol
PubChem CID18723534
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name[4-(diethylaminomethyl)pyrrolidin-3-yl]methanol
SMILESCCN(CC)CC1CNCC1CO
InChIInChI=1S/C10H22N2O/c1-3-12(4-2)7-9-5-11-6-10(9)8-13/h9-11,13H,3-8H2,1-2H3
InChIKeyNHHYLFFHSVRPAL-UHFFFAOYSA-N
XLogP0.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

D-beta-Prolinol
CID 7446913
(Pyrrolidin-3-yl)methanol
CID 13400657
rac-[(3R,4R)-4-methylpyrrolidin-3-yl]methanol
CID 49757939
(3S)-3-Pyrrolidinemethanol
CID 7446911
(3,4-Dimethylpyrrolidin-3-yl)methanol hydrochloride
CID 76220408
[3-(Aminomethyl)-1-methylpyrrolidin-3-yl]methanol
CID 82651391
(4,4-Dimethylpyrrolidin-3-yl)methanol hydrochloride
CID 145711698
rel-(3R,4R)-4-Methyl-3-pyrrolidinemethanol
CID 46835700
(4,4-Dimethylpyrrolidin-3-yl)methanol
CID 54276003
Ethane;[4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 141826036
(1-Fluoroethylamino)-pyrrolidin-3-ylmethanol
CID 142629274
2-Methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol
CID 81419304

Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [4-(diethylaminomethyl)pyrrolidin-3-yl]methanol (CID 18723534) is [4-(diethylaminomethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-(diethylaminomethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [4-(diethylaminomethyl)pyrrolidin-3-yl]methanol is CCN(CC)CC1CNCC1CO.
What is the InChIKey of [4-(diethylaminomethyl)pyrrolidin-3-yl]methanol?
The InChIKey is NHHYLFFHSVRPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-12(4-2)7-9-5-11-6-10(9)8-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of [4-(diethylaminomethyl)pyrrolidin-3-yl]methanol?
[4-(diethylaminomethyl)pyrrolidin-3-yl]methanol has a molecular weight of 186.30 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 18723534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).