N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine

C9H16N2 — CID 90823842

IUPACN-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine
SMILESCNCCCC1(C)C=CC=N1
InChIInChI=1S/C9H16N2/c1-9(5-3-7-10-2)6-4-8-11-9/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyAUCLXDDMNMYMNL-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.39
Rot. Bonds4

About N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine

N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine (PubChem CID 90823842) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine
PubChem CID90823842
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine
SMILESCNCCCC1(C)C=CC=N1
InChIInChI=1S/C9H16N2/c1-9(5-3-7-10-2)6-4-8-11-9/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyAUCLXDDMNMYMNL-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

6-(2-Hexylpyrrol-2-yl)hexan-1-amine
CID 57022325
2-(2-Propylpyrrol-2-yl)ethanamine
CID 57077373
1-(2-Propylpyrrol-2-yl)propan-2-amine
CID 57078424
N'-[2-(2-ethylpyrrol-2-yl)ethyl]ethane-1,2-diamine
CID 57152754
N-[2-[2-(2-aminoethyl)pyrrol-2-yl]ethyl]dodecan-1-amine
CID 57254824
N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine
CID 91081982
2-[2-[3-(Methylamino)propyl]pyrrol-2-yl]ethanethiol
CID 91231411
(E)-N-(2-ethyliminoethyl)-N'-methyl-4-propylpent-2-ene-1,5-diamine
CID 117913840
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
2-(2-ethyl-3H-pyridin-2-yl)-N-methylethanamine
CID 143815612
3-propyl-2H-pyridin-3-amine
CID 153820405
(Z)-5-methyl-N-[(E)-2-methyl-4-methyliminobut-2-enyl]oct-6-en-1-amine
CID 156301270

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine (CID 90823842) is N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine is CNCCCC1(C)C=CC=N1.
What is the InChIKey of N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine?
The InChIKey is AUCLXDDMNMYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(5-3-7-10-2)6-4-8-11-9/h4,6,8,10H,3,5,7H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine?
N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 90823842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).