N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

C12H16N4 — CID 116882188

IUPACN-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESCNCC1(c2ncc(-c3cc[nH]c3)[nH]2)CC1
InChIInChI=1S/C12H16N4/c1-13-8-12(3-4-12)11-15-7-10(16-11)9-2-5-14-6-9/h2,5-7,13-14H,3-4,8H2,1H3,(H,15,16)
InChIKeyZAIOBJPZUMVKHI-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.66
Rot. Bonds4

About N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (PubChem CID 116882188) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
PubChem CID116882188
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESCNCC1(c2ncc(-c3cc[nH]c3)[nH]2)CC1
InChIInChI=1S/C12H16N4/c1-13-8-12(3-4-12)11-15-7-10(16-11)9-2-5-14-6-9/h2,5-7,13-14H,3-4,8H2,1H3,(H,15,16)
InChIKeyZAIOBJPZUMVKHI-UHFFFAOYSA-N
XLogP1.66
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (CID 116882188) is N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is CNCC1(c2ncc(-c3cc[nH]c3)[nH]2)CC1.
What is the InChIKey of N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The InChIKey is ZAIOBJPZUMVKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-13-8-12(3-4-12)11-15-7-10(16-11)9-2-5-14-6-9/h2,5-7,13-14H,3-4,8H2,1H3,(H,15,16).
What are the key properties of N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116882188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).