(1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine

C9H16N2 — CID 130786156

IUPAC(1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine
SMILESCc1c[nH]c([C@@H](N)C(C)C)c1
InChIInChI=1S/C9H16N2/c1-6(2)9(10)8-4-7(3)5-11-8/h4-6,9,11H,10H2,1-3H3/t9-/m0/s1
InChIKeyXCUAZQLPYMNIKR-VIFPVBQESA-N
MW152.24 g/mol
LogP1.98
Rot. Bonds2

About (1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine

(1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine (PubChem CID 130786156) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine
PubChem CID130786156
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine
SMILESCc1c[nH]c([C@@H](N)C(C)C)c1
InChIInChI=1S/C9H16N2/c1-6(2)9(10)8-4-7(3)5-11-8/h4-6,9,11H,10H2,1-3H3/t9-/m0/s1
InChIKeyXCUAZQLPYMNIKR-VIFPVBQESA-N
XLogP1.98
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-methyl-1-(5-methyl-1H-pyrrol-2-yl)propan-1-amine
CID 130648459
(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
CID 55293617
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
(1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine
CID 55292741
2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-amine
CID 83848435
(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
CID 55273772
4-methyl-1H-pyrrol-2-amine;pyridine
CID 174827367
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
(1R)-1-(4-fluoro-3,5-dimethylphenyl)-2-methylpropan-1-amine
CID 55278415
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine (CID 130786156) is (1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine is Cc1c[nH]c([C@@H](N)C(C)C)c1.
What is the InChIKey of (1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is XCUAZQLPYMNIKR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)9(10)8-4-7(3)5-11-8/h4-6,9,11H,10H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine?
(1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(4-methyl-1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 130786156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).