2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine

C11H20N2 — CID 121241393

IUPAC2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCC1C=CN=C1
InChIInChI=1S/C11H20N2/c1-11(2,3)13-7-4-5-10-6-8-12-9-10/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyWXQQLMVFVCGRGA-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.37
Rot. Bonds4

About 2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine

2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine (PubChem CID 121241393) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine
PubChem CID121241393
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCC1C=CN=C1
InChIInChI=1S/C11H20N2/c1-11(2,3)13-7-4-5-10-6-8-12-9-10/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyWXQQLMVFVCGRGA-UHFFFAOYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine (CID 121241393) is 2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine is CC(C)(C)NCCCC1C=CN=C1.
What is the InChIKey of 2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine?
The InChIKey is WXQQLMVFVCGRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(2,3)13-7-4-5-10-6-8-12-9-10/h6,8-10,13H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine?
2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine has a molecular weight of 180.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3H-pyrrol-3-yl)propyl]propan-2-amine is sourced from PubChem (CID 121241393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).