N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine

C18H33N3 — CID 56997952

IUPACN-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCC1CCN(C2(C)C=CC=N2)CC1
InChIInChI=1S/C18H33N3/c1-4-12-20(13-5-2)14-7-17-8-15-21(16-9-17)18(3)10-6-11-19-18/h6,10-11,17H,4-5,7-9,12-16H2,1-3H3
InChIKeyNZLWYTMRUHTOFZ-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.57
Rot. Bonds8

About N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine

N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine (PubChem CID 56997952) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
PubChem CID56997952
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCC1CCN(C2(C)C=CC=N2)CC1
InChIInChI=1S/C18H33N3/c1-4-12-20(13-5-2)14-7-17-8-15-21(16-9-17)18(3)10-6-11-19-18/h6,10-11,17H,4-5,7-9,12-16H2,1-3H3
InChIKeyNZLWYTMRUHTOFZ-UHFFFAOYSA-N
XLogP3.57
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56978901
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,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
N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57044203
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylethanamine
CID 57046378

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine (CID 56997952) is N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCC1CCN(C2(C)C=CC=N2)CC1.
What is the InChIKey of N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine?
The InChIKey is NZLWYTMRUHTOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-12-20(13-5-2)14-7-17-8-15-21(16-9-17)18(3)10-6-11-19-18/h6,10-11,17H,4-5,7-9,12-16H2,1-3H3.
What are the key properties of N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine?
N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 56997952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).