N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine

C11H21N3 — CID 134406057

IUPACN-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine
SMILESCCNCCN(C)Cc1ccc(C)[nH]1
InChIInChI=1S/C11H21N3/c1-4-12-7-8-14(3)9-11-6-5-10(2)13-11/h5-6,12-13H,4,7-9H2,1-3H3
InChIKeyKXQYKOJKWUXUOP-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.36
Rot. Bonds6

About N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine

N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 134406057) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine
PubChem CID134406057
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine
SMILESCCNCCN(C)Cc1ccc(C)[nH]1
InChIInChI=1S/C11H21N3/c1-4-12-7-8-14(3)9-11-6-5-10(2)13-11/h5-6,12-13H,4,7-9H2,1-3H3
InChIKeyKXQYKOJKWUXUOP-UHFFFAOYSA-N
XLogP1.36
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205937
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898
N-ethyl-N'-[(4-methoxy-2,5-dimethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205904
5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115205907
N-ethyl-N'-methyl-N'-[(2-methyl-1,3-benzoxazol-6-yl)methyl]ethane-1,2-diamine
CID 115205939
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115206136
N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205912
3-[[2-(ethylamino)ethyl-methylamino]methyl]benzoyl chloride
CID 141432040
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 64783588
6-[2-[2-(ethylamino)ethyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one
CID 115206125
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine (CID 134406057) is N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine is CCNCCN(C)Cc1ccc(C)[nH]1.
What is the InChIKey of N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is KXQYKOJKWUXUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-12-7-8-14(3)9-11-6-5-10(2)13-11/h5-6,12-13H,4,7-9H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[(5-methyl-1H-pyrrol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 134406057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).