[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride

C8H20Cl2N2O — CID 175453731

IUPAC[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
SMILESCl.Cl.NCCCN1CCCC1CO
InChIInChI=1S/C8H18N2O.2ClH/c9-4-2-6-10-5-1-3-8(10)7-11;;/h8,11H,1-7,9H2;2*1H
InChIKeyQKZAYQLKKVNDMK-UHFFFAOYSA-N
MW231.17 g/mol
LogP0.64
Rot. Bonds4

About [1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride

[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride (PubChem CID 175453731) has the molecular formula C8H20Cl2N2O and a molecular weight of 231.17 g/mol. Its IUPAC name is [1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride.

Molecular Properties

Compound Name[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
PubChem CID175453731
Molecular FormulaC8H20Cl2N2O
Molecular Weight231.17 g/mol
Exact Mass230.10
IUPAC Name[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
SMILESCl.Cl.NCCCN1CCCC1CO
InChIInChI=1S/C8H18N2O.2ClH/c9-4-2-6-10-5-1-3-8(10)7-11;;/h8,11H,1-7,9H2;2*1H
InChIKeyQKZAYQLKKVNDMK-UHFFFAOYSA-N
XLogP0.64
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
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(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
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[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
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ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62737703
[(2R)-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-yl]methanol
CID 111487572

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride?
The IUPAC name of [1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride (CID 175453731) is [1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride.
What is the SMILES notation for [1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride?
The canonical SMILES for [1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride is Cl.Cl.NCCCN1CCCC1CO.
What is the InChIKey of [1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride?
The InChIKey is QKZAYQLKKVNDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.2ClH/c9-4-2-6-10-5-1-3-8(10)7-11;;/h8,11H,1-7,9H2;2*1H.
What are the key properties of [1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride?
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride has a molecular weight of 231.17 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride is sourced from PubChem (CID 175453731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).