1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine

C13H25N3 — CID 79842271

IUPAC1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCN(C3CC3)CC2)CCC1
InChIInChI=1S/C13H25N3/c14-13(4-1-5-13)6-7-15-8-10-16(11-9-15)12-2-3-12/h12H,1-11,14H2
InChIKeyQABNSCJSVOYQJD-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.04
Rot. Bonds4

About 1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine

1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine (PubChem CID 79842271) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine
PubChem CID79842271
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCN(C3CC3)CC2)CCC1
InChIInChI=1S/C13H25N3/c14-13(4-1-5-13)6-7-15-8-10-16(11-9-15)12-2-3-12/h12H,1-11,14H2
InChIKeyQABNSCJSVOYQJD-UHFFFAOYSA-N
XLogP1.04
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine (CID 79842271) is 1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine is NC1(CCN2CCN(C3CC3)CC2)CCC1.
What is the InChIKey of 1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The InChIKey is QABNSCJSVOYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c14-13(4-1-5-13)6-7-15-8-10-16(11-9-15)12-2-3-12/h12H,1-11,14H2.
What are the key properties of 1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79842271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).