1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine

C14H22N4 — CID 79105673

IUPAC1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCCn1cncc1Cn1ccc(C(N)CC)c1
InChIInChI=1S/C14H22N4/c1-3-6-18-11-16-8-13(18)10-17-7-5-12(9-17)14(15)4-2/h5,7-9,11,14H,3-4,6,10,15H2,1-2H3
InChIKeyLRFGPGURXPWEMC-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.55
Rot. Bonds6

About 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine

1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79105673) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79105673
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCCn1cncc1Cn1ccc(C(N)CC)c1
InChIInChI=1S/C14H22N4/c1-3-6-18-11-16-8-13(18)10-17-7-5-12(9-17)14(15)4-2/h5,7-9,11,14H,3-4,6,10,15H2,1-2H3
InChIKeyLRFGPGURXPWEMC-UHFFFAOYSA-N
XLogP2.55
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine (CID 79105673) is 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine is CCCn1cncc1Cn1ccc(C(N)CC)c1.
What is the InChIKey of 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is LRFGPGURXPWEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-6-18-11-16-8-13(18)10-17-7-5-12(9-17)14(15)4-2/h5,7-9,11,14H,3-4,6,10,15H2,1-2H3.
What are the key properties of 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine?
1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).