N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine

C18H33N3 — CID 56978901

IUPACN-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
SMILESCCCC1(N2CCC(CCCNC(C)C)CC2)C=CC=N1
InChIInChI=1S/C18H33N3/c1-4-10-18(11-6-13-20-18)21-14-8-17(9-15-21)7-5-12-19-16(2)3/h6,11,13,16-17,19H,4-5,7-10,12,14-15H2,1-3H3
InChIKeyUQKKXTKLURPSIS-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.61
Rot. Bonds8

About N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine

N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine (PubChem CID 56978901) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
PubChem CID56978901
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
SMILESCCCC1(N2CCC(CCCNC(C)C)CC2)C=CC=N1
InChIInChI=1S/C18H33N3/c1-4-10-18(11-6-13-20-18)21-14-8-17(9-15-21)7-5-12-19-16(2)3/h6,11,13,16-17,19H,4-5,7-10,12,14-15H2,1-3H3
InChIKeyUQKKXTKLURPSIS-UHFFFAOYSA-N
XLogP3.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 56980713
N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 56997392
N-methyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 56997506
N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
CID 56997952
N,N-diethyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56998265
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N-methylethanamine
CID 57000243
N-ethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57010683
N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57014066
N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57029224
2-[1-(2-Ethylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57032140
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N-methylpropan-1-amine
CID 57034237
N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57044203

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The IUPAC name of N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine (CID 56978901) is N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine is CCCC1(N2CCC(CCCNC(C)C)CC2)C=CC=N1.
What is the InChIKey of N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The InChIKey is UQKKXTKLURPSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-10-18(11-6-13-20-18)21-14-8-17(9-15-21)7-5-12-19-16(2)3/h6,11,13,16-17,19H,4-5,7-10,12,14-15H2,1-3H3.
What are the key properties of N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine is sourced from PubChem (CID 56978901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).