cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine

C14H20N4 — CID 79103302

IUPACcyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
SMILESCCn1ccnc1Cn1ccc(C(N)C2CC2)c1
InChIInChI=1S/C14H20N4/c1-2-18-8-6-16-13(18)10-17-7-5-12(9-17)14(15)11-3-4-11/h5-9,11,14H,2-4,10,15H2,1H3
InChIKeyXWDVVBWHGZOJBH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.16
Rot. Bonds5

About cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine

cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine (PubChem CID 79103302) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
PubChem CID79103302
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Namecyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
SMILESCCn1ccnc1Cn1ccc(C(N)C2CC2)c1
InChIInChI=1S/C14H20N4/c1-2-18-8-6-16-13(18)10-17-7-5-12(9-17)14(15)11-3-4-11/h5-9,11,14H,2-4,10,15H2,1H3
InChIKeyXWDVVBWHGZOJBH-UHFFFAOYSA-N
XLogP2.16
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine (CID 79103302) is cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine is CCn1ccnc1Cn1ccc(C(N)C2CC2)c1.
What is the InChIKey of cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is XWDVVBWHGZOJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-18-8-6-16-13(18)10-17-7-5-12(9-17)14(15)11-3-4-11/h5-9,11,14H,2-4,10,15H2,1H3.
What are the key properties of cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine?
cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 79103302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).