N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine

C14H25N3 — CID 66403308

IUPACN-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1CCCN1CCCC1
InChIInChI=1S/C14H25N3/c1-2-15-13-14-7-5-11-17(14)12-6-10-16-8-3-4-9-16/h5,7,11,15H,2-4,6,8-10,12-13H2,1H3
InChIKeyZZPCSNGTEDPITR-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.08
Rot. Bonds7

About N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine

N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine (PubChem CID 66403308) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
PubChem CID66403308
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1CCCN1CCCC1
InChIInChI=1S/C14H25N3/c1-2-15-13-14-7-5-11-17(14)12-6-10-16-8-3-4-9-16/h5,7,11,15H,2-4,6,8-10,12-13H2,1H3
InChIKeyZZPCSNGTEDPITR-UHFFFAOYSA-N
XLogP2.08
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66411888
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 114015196
N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401991
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 66411495
2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66403516
N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]ethanamine
CID 66402346
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-2-yl]methyl]ethanamine
CID 66401572
N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine
CID 4537540

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine (CID 66403308) is N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1CCCN1CCCC1.
What is the InChIKey of N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine?
The InChIKey is ZZPCSNGTEDPITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-15-13-14-7-5-11-17(14)12-6-10-16-8-3-4-9-16/h5,7,11,15H,2-4,6,8-10,12-13H2,1H3.
What are the key properties of N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine?
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine has a molecular weight of 235.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66403308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).