N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine

C11H20N4 — CID 63823265

IUPACN-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(NCc2ncc[nH]2)C1
InChIInChI=1S/C11H20N4/c1-9(2)15-6-3-10(8-15)14-7-11-12-4-5-13-11/h4-5,9-10,14H,3,6-8H2,1-2H3,(H,12,13)
InChIKeyFSQIMGVZFIRSLG-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.98
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine

N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 63823265) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID63823265
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(NCc2ncc[nH]2)C1
InChIInChI=1S/C11H20N4/c1-9(2)15-6-3-10(8-15)14-7-11-12-4-5-13-11/h4-5,9-10,14H,3,6-8H2,1-2H3,(H,12,13)
InChIKeyFSQIMGVZFIRSLG-UHFFFAOYSA-N
XLogP0.98
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine (CID 63823265) is N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CCC(NCc2ncc[nH]2)C1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is FSQIMGVZFIRSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)15-6-3-10(8-15)14-7-11-12-4-5-13-11/h4-5,9-10,14H,3,6-8H2,1-2H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine?
N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 63823265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).