3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine

C11H21N5 — CID 62132366

IUPAC3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCn1ccnc1N1CCN(CCCN)CC1
InChIInChI=1S/C11H21N5/c1-14-6-4-13-11(14)16-9-7-15(8-10-16)5-2-3-12/h4,6H,2-3,5,7-10,12H2,1H3
InChIKeySEDGTVYLDNQJKK-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.11
Rot. Bonds4

About 3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine

3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine (PubChem CID 62132366) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine
PubChem CID62132366
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCn1ccnc1N1CCN(CCCN)CC1
InChIInChI=1S/C11H21N5/c1-14-6-4-13-11(14)16-9-7-15(8-10-16)5-2-3-12/h4,6H,2-3,5,7-10,12H2,1H3
InChIKeySEDGTVYLDNQJKK-UHFFFAOYSA-N
XLogP-0.11
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine (CID 62132366) is 3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine is Cn1ccnc1N1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is SEDGTVYLDNQJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-14-6-4-13-11(14)16-9-7-15(8-10-16)5-2-3-12/h4,6H,2-3,5,7-10,12H2,1H3.
What are the key properties of 3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine?
3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62132366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).