2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol

C12H25N3O — CID 106606838

IUPAC2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCN1CCC(N(CCO)CC2CCCN2)C1
InChIInChI=1S/C12H25N3O/c1-14-6-4-12(10-14)15(7-8-16)9-11-3-2-5-13-11/h11-13,16H,2-10H2,1H3
InChIKeyOIDSDXXBCKFUQH-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.26
Rot. Bonds5

About 2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106606838) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106606838
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCN1CCC(N(CCO)CC2CCCN2)C1
InChIInChI=1S/C12H25N3O/c1-14-6-4-12(10-14)15(7-8-16)9-11-3-2-5-13-11/h11-13,16H,2-10H2,1H3
InChIKeyOIDSDXXBCKFUQH-UHFFFAOYSA-N
XLogP-0.26
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrrolidin-3-amine
CID 106603535
2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607106
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606511
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one
CID 106617859
2-[(2,6-dimethylcyclohexyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606785
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106618351
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106631586
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106606838) is 2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is CN1CCC(N(CCO)CC2CCCN2)C1.
What is the InChIKey of 2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is OIDSDXXBCKFUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-6-4-12(10-14)15(7-8-16)9-11-3-2-5-13-11/h11-13,16H,2-10H2,1H3.
What are the key properties of 2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 227.35 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106606838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).