2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine

C9H16N2 — CID 90161353

IUPAC2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine
SMILESCNCCC1=C(C)CN=C1C
InChIInChI=1S/C9H16N2/c1-7-6-11-8(2)9(7)4-5-10-3/h10H,4-6H2,1-3H3
InChIKeyMAIURRJUEOSOFX-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.39
Rot. Bonds3

About 2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine

2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine (PubChem CID 90161353) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine
PubChem CID90161353
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine
SMILESCNCCC1=C(C)CN=C1C
InChIInChI=1S/C9H16N2/c1-7-6-11-8(2)9(7)4-5-10-3/h10H,4-6H2,1-3H3
InChIKeyMAIURRJUEOSOFX-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine
CID 118119679
1-(5-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
CID 123958867
(E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine
CID 134567684
Ethane;3-piperidin-4-ylidenebutan-2-imine
CID 142142788
N,2-dimethyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)butan-1-imine
CID 156452549
(E)-1-N,1-N,4-N,3-tetramethyl-2-methyliminopent-3-ene-1,4-diamine
CID 156479712
3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 159866284
2-methyl-N-(4,5,6,7-tetrahydro-3H-isoindol-1-ylmethyl)propan-2-amine
CID 161028820
(Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine
CID 163977391
(Z)-N,3-diethyl-2-methyliminopent-3-en-1-amine
CID 169648011
(3E)-3-butan-2-ylidene-N-methylpiperidin-4-imine
CID 170078168
N-[(2-ethyl-5-methyl-2H-pyrrol-3-yl)methyl]propan-2-amine
CID 172348382

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine (CID 90161353) is 2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine is CNCCC1=C(C)CN=C1C.
What is the InChIKey of 2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine?
The InChIKey is MAIURRJUEOSOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-6-11-8(2)9(7)4-5-10-3/h10H,4-6H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine?
2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine is sourced from PubChem (CID 90161353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).