2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine

C15H25N3O — CID 61440535

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(CC3CC3)CC2)o1
InChIInChI=1S/C15H25N3O/c1-12-2-5-15(19-12)14(10-16)18-8-6-17(7-9-18)11-13-3-4-13/h2,5,13-14H,3-4,6-11,16H2,1H3
InChIKeyARSWKDPKFBJFKF-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.62
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 61440535) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
PubChem CID61440535
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(CC3CC3)CC2)o1
InChIInChI=1S/C15H25N3O/c1-12-2-5-15(19-12)14(10-16)18-8-6-17(7-9-18)11-13-3-4-13/h2,5,13-14H,3-4,6-11,16H2,1H3
InChIKeyARSWKDPKFBJFKF-UHFFFAOYSA-N
XLogP1.62
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine (CID 61440535) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(CN)N2CCN(CC3CC3)CC2)o1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is ARSWKDPKFBJFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-2-5-15(19-12)14(10-16)18-8-6-17(7-9-18)11-13-3-4-13/h2,5,13-14H,3-4,6-11,16H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 61440535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).