N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine

C15H29N3 — CID 79605149

IUPACN',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1cc(C)n(CC)c1C
InChIInChI=1S/C15H29N3/c1-6-17(7-2)10-9-16-12-15-11-13(4)18(8-3)14(15)5/h11,16H,6-10,12H2,1-5H3
InChIKeyHHLIPEZLLBTYED-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.56
Rot. Bonds8

About N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine

N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 79605149) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine
PubChem CID79605149
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1cc(C)n(CC)c1C
InChIInChI=1S/C15H29N3/c1-6-17(7-2)10-9-16-12-15-11-13(4)18(8-3)14(15)5/h11,16H,6-10,12H2,1-5H3
InChIKeyHHLIPEZLLBTYED-UHFFFAOYSA-N
XLogP2.56
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.56
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]but-3-yn-1-amine
CID 79604938
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 79605250
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 79605019
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79604843
4-[2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]ethyl]phenol
CID 79605084
2-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]phenol
CID 114331585
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 79604325
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
CID 79605383
2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
CID 106397577
1-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 79604993
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115989281

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine (CID 79605149) is N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine is CCN(CC)CCNCc1cc(C)n(CC)c1C.
What is the InChIKey of N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is HHLIPEZLLBTYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-17(7-2)10-9-16-12-15-11-13(4)18(8-3)14(15)5/h11,16H,6-10,12H2,1-5H3.
What are the key properties of N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 251.42 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79605149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).