N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine

C16H29N3 — CID 79605250

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCCn1c(C)cc(CNCCN2CCCCC2)c1C
InChIInChI=1S/C16H29N3/c1-4-19-14(2)12-16(15(19)3)13-17-8-11-18-9-6-5-7-10-18/h12,17H,4-11,13H2,1-3H3
InChIKeyQCVCLRCWFUREOM-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.70
Rot. Bonds6

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 79605250) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID79605250
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCCn1c(C)cc(CNCCN2CCCCC2)c1C
InChIInChI=1S/C16H29N3/c1-4-19-14(2)12-16(15(19)3)13-17-8-11-18-9-6-5-7-10-18/h12,17H,4-11,13H2,1-3H3
InChIKeyQCVCLRCWFUREOM-UHFFFAOYSA-N
XLogP2.70
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.70
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

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
2-(azepan-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62475138
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 79604935
1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine
CID 100793985
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]but-3-yn-1-amine
CID 79604938
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79604843
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 104670179
2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62474770
N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine
CID 79605149
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 54976929
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine
CID 83009210

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine (CID 79605250) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine is CCn1c(C)cc(CNCCN2CCCCC2)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is QCVCLRCWFUREOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-19-14(2)12-16(15(19)3)13-17-8-11-18-9-6-5-7-10-18/h12,17H,4-11,13H2,1-3H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 263.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 79605250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).