N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine

C18H33N3 — CID 57044203

IUPACN,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
SMILESCCCC1(N2CCC(CCN(CC)CC)CC2)C=CC=N1
InChIInChI=1S/C18H33N3/c1-4-11-18(12-7-13-19-18)21-15-9-17(10-16-21)8-14-20(5-2)6-3/h7,12-13,17H,4-6,8-11,14-16H2,1-3H3
InChIKeyAFXMUTCYGCQZMT-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.57
Rot. Bonds8

About N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine

N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine (PubChem CID 57044203) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
PubChem CID57044203
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
SMILESCCCC1(N2CCC(CCN(CC)CC)CC2)C=CC=N1
InChIInChI=1S/C18H33N3/c1-4-11-18(12-7-13-19-18)21-15-9-17(10-16-21)8-14-20(5-2)6-3/h7,12-13,17H,4-6,8-11,14-16H2,1-3H3
InChIKeyAFXMUTCYGCQZMT-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-[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,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
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylethanamine
CID 57046378
N,N-dipropyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57051311

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine (CID 57044203) is N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine is CCCC1(N2CCC(CCN(CC)CC)CC2)C=CC=N1.
What is the InChIKey of N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is AFXMUTCYGCQZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-11-18(12-7-13-19-18)21-15-9-17(10-16-21)8-14-20(5-2)6-3/h7,12-13,17H,4-6,8-11,14-16H2,1-3H3.
What are the key properties of N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine?
N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine 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,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 57044203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).