4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol

C15H26N2O — CID 79104467

IUPAC4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
SMILESCCCNC(c1ccn(CCCCO)c1)C1CC1
InChIInChI=1S/C15H26N2O/c1-2-8-16-15(13-5-6-13)14-7-10-17(12-14)9-3-4-11-18/h7,10,12-13,15-16,18H,2-6,8-9,11H2,1H3
InChIKeyNSTKYJLTUMMHRX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.71
Rot. Bonds9

About 4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol

4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol (PubChem CID 79104467) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
PubChem CID79104467
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
SMILESCCCNC(c1ccn(CCCCO)c1)C1CC1
InChIInChI=1S/C15H26N2O/c1-2-8-16-15(13-5-6-13)14-7-10-17(12-14)9-3-4-11-18/h7,10,12-13,15-16,18H,2-6,8-9,11H2,1H3
InChIKeyNSTKYJLTUMMHRX-UHFFFAOYSA-N
XLogP2.71
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79103165
3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79103501
N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103596
N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79103503
N-[cyclopropyl-[1-[3-(oxolan-2-yl)propyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099642
N-[cyclopropyl-[1-(2-propan-2-ylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 106717799
N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79099233
methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
CID 79103936
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
N-[cyclopropyl-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103691
N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099232
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79098566

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol?
The IUPAC name of 4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol (CID 79104467) is 4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol.
What is the SMILES notation for 4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol?
The canonical SMILES for 4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol is CCCNC(c1ccn(CCCCO)c1)C1CC1.
What is the InChIKey of 4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol?
The InChIKey is NSTKYJLTUMMHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-8-16-15(13-5-6-13)14-7-10-17(12-14)9-3-4-11-18/h7,10,12-13,15-16,18H,2-6,8-9,11H2,1H3.
What are the key properties of 4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol?
4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol is sourced from PubChem (CID 79104467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).