3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol

C11H18N2O — CID 79104431

IUPAC3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol
SMILESNC(c1ccn(CCCO)c1)C1CC1
InChIInChI=1S/C11H18N2O/c12-11(9-2-3-9)10-4-6-13(8-10)5-1-7-14/h4,6,8-9,11,14H,1-3,5,7,12H2
InChIKeyZBWIAQRETLADJW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.28
Rot. Bonds5

About 3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol

3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol (PubChem CID 79104431) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol
PubChem CID79104431
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol
SMILESNC(c1ccn(CCCO)c1)C1CC1
InChIInChI=1S/C11H18N2O/c12-11(9-2-3-9)10-4-6-13(8-10)5-1-7-14/h4,6,8-9,11,14H,1-3,5,7,12H2
InChIKeyZBWIAQRETLADJW-UHFFFAOYSA-N
XLogP1.28
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine
CID 79104428
cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine
CID 79104518
3-[3-(1-hydroxyethyl)pyrrol-1-yl]propan-1-ol
CID 79107179
4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
CID 79104467
2-[2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79096843
cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine
CID 79103466
cyclopropyl-(1-propylpyrrol-3-yl)methanol
CID 79097754
[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79103464
[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79104004
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(cyanomethyl)acetamide
CID 79104425
cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine
CID 79219546
2-[[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 79103383

Frequently Asked Questions

What is the IUPAC name of 3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol?
The IUPAC name of 3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol (CID 79104431) is 3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol is NC(c1ccn(CCCO)c1)C1CC1.
What is the InChIKey of 3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol?
The InChIKey is ZBWIAQRETLADJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-11(9-2-3-9)10-4-6-13(8-10)5-1-7-14/h4,6,8-9,11,14H,1-3,5,7,12H2.
What are the key properties of 3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol?
3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]propan-1-ol is sourced from PubChem (CID 79104431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).