N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine

C14H27N3 — CID 2125367

IUPACN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCn1c(C)ccc1C
InChIInChI=1S/C14H27N3/c1-5-16(6-2)11-9-15-10-12-17-13(3)7-8-14(17)4/h7-8,15H,5-6,9-12H2,1-4H3
InChIKeyAFNMSIDYXBQKJI-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.04
Rot. Bonds8

About N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine

N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 2125367) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID2125367
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCn1c(C)ccc1C
InChIInChI=1S/C14H27N3/c1-5-16(6-2)11-9-15-10-12-17-13(3)7-8-14(17)4/h7-8,15H,5-6,9-12H2,1-4H3
InChIKeyAFNMSIDYXBQKJI-UHFFFAOYSA-N
XLogP2.04
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.04
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-(2,5-dimethylpyrrol-1-yl)-N',N'-diethylethane-1,2-diamine
CID 79100856
N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
N',N'-diethyl-N-[3-(4-methylphenyl)propyl]ethane-1,2-diamine
CID 113406144
N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine
CID 79605149
3-[2-[2-(diethylamino)ethylamino]ethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341580
N-[2-(5-bromoindol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 62562872
N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 139721911
N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62562672
N-[(1,4-dimethylpyrazol-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 122165976
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62574688
N',N'-diethyl-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 4720465

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine (CID 2125367) is N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCCn1c(C)ccc1C.
What is the InChIKey of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is AFNMSIDYXBQKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-16(6-2)11-9-15-10-12-17-13(3)7-8-14(17)4/h7-8,15H,5-6,9-12H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 2125367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).