2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine

C14H26N2 — CID 66401427

IUPAC2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
SMILESCCCCCn1cccc1CNC(C)(C)C
InChIInChI=1S/C14H26N2/c1-5-6-7-10-16-11-8-9-13(16)12-15-14(2,3)4/h8-9,11,15H,5-7,10,12H2,1-4H3
InChIKeyABUGVPPJTKAYQH-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.57
Rot. Bonds6

About 2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine

2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine (PubChem CID 66401427) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
PubChem CID66401427
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
SMILESCCCCCn1cccc1CNC(C)(C)C
InChIInChI=1S/C14H26N2/c1-5-6-7-10-16-11-8-9-13(16)12-15-14(2,3)4/h8-9,11,15H,5-7,10,12H2,1-4H3
InChIKeyABUGVPPJTKAYQH-UHFFFAOYSA-N
XLogP3.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.57
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-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine (CID 66401427) is 2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine is CCCCCn1cccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine?
The InChIKey is ABUGVPPJTKAYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-6-7-10-16-11-8-9-13(16)12-15-14(2,3)4/h8-9,11,15H,5-7,10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine?
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66401427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).