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

C16H29N3 — CID 57029224

IUPACN,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
SMILESCCCC1(N2CCC(CCN(C)C)CC2)C=CC=N1
InChIInChI=1S/C16H29N3/c1-4-9-16(10-5-11-17-16)19-13-7-15(8-14-19)6-12-18(2)3/h5,10-11,15H,4,6-9,12-14H2,1-3H3
InChIKeyLPIXEXPWWCISOG-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.79
Rot. Bonds6

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

N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine (PubChem CID 57029224) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
PubChem CID57029224
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
SMILESCCCC1(N2CCC(CCN(C)C)CC2)C=CC=N1
InChIInChI=1S/C16H29N3/c1-4-9-16(10-5-11-17-16)19-13-7-15(8-14-19)6-12-18(2)3/h5,10-11,15H,4,6-9,12-14H2,1-3H3
InChIKeyLPIXEXPWWCISOG-UHFFFAOYSA-N
XLogP2.79
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.79
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-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
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,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine (CID 57029224) is N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine is CCCC1(N2CCC(CCN(C)C)CC2)C=CC=N1.
What is the InChIKey of N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is LPIXEXPWWCISOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-9-16(10-5-11-17-16)19-13-7-15(8-14-19)6-12-18(2)3/h5,10-11,15H,4,6-9,12-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine?
N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 57029224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).