N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

C13H24N4 — CID 50956167

IUPACN-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCCN(CCN1CCCC1)Cc1nc[nH]c1C
InChIInChI=1S/C13H24N4/c1-3-16(8-9-17-6-4-5-7-17)10-13-12(2)14-11-15-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyBSHHCDATGVYKDC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.64
Rot. Bonds6

About N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 50956167) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID50956167
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCCN(CCN1CCCC1)Cc1nc[nH]c1C
InChIInChI=1S/C13H24N4/c1-3-16(8-9-17-6-4-5-7-17)10-13-12(2)14-11-15-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyBSHHCDATGVYKDC-UHFFFAOYSA-N
XLogP1.64
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 50956167) is N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is CCN(CCN1CCCC1)Cc1nc[nH]c1C.
What is the InChIKey of N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is BSHHCDATGVYKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-16(8-9-17-6-4-5-7-17)10-13-12(2)14-11-15-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 50956167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).