(1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine

C10H18N2 — CID 55292741

IUPAC(1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine
SMILESCc1cc(C)c([C@@H](N)C(C)C)[nH]1
InChIInChI=1S/C10H18N2/c1-6(2)9(11)10-7(3)5-8(4)12-10/h5-6,9,12H,11H2,1-4H3/t9-/m0/s1
InChIKeyALPZJZZQSIWHOK-VIFPVBQESA-N
MW166.27 g/mol
LogP2.29
Rot. Bonds2

About (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine

(1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine (PubChem CID 55292741) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine
PubChem CID55292741
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine
SMILESCc1cc(C)c([C@@H](N)C(C)C)[nH]1
InChIInChI=1S/C10H18N2/c1-6(2)9(11)10-7(3)5-8(4)12-10/h5-6,9,12H,11H2,1-4H3/t9-/m0/s1
InChIKeyALPZJZZQSIWHOK-VIFPVBQESA-N
XLogP2.29
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine (CID 55292741) is (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine is Cc1cc(C)c([C@@H](N)C(C)C)[nH]1.
What is the InChIKey of (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine?
The InChIKey is ALPZJZZQSIWHOK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2/c1-6(2)9(11)10-7(3)5-8(4)12-10/h5-6,9,12H,11H2,1-4H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine?
(1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 55292741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).