(1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine

C10H19N3O — CID 118423082

IUPAC(1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine
SMILESCC(N)/C=C1/CN(C2COC2)CCN1
InChIInChI=1S/C10H19N3O/c1-8(11)4-9-5-13(3-2-12-9)10-6-14-7-10/h4,8,10,12H,2-3,5-7,11H2,1H3/b9-4-
InChIKeyYEYAUUTWTKRXNC-WTKPLQERSA-N
MW197.28 g/mol
LogP-0.48
Rot. Bonds2

About (1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine

(1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine (PubChem CID 118423082) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine.

Molecular Properties

Compound Name(1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine
PubChem CID118423082
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine
SMILESCC(N)/C=C1/CN(C2COC2)CCN1
InChIInChI=1S/C10H19N3O/c1-8(11)4-9-5-13(3-2-12-9)10-6-14-7-10/h4,8,10,12H,2-3,5-7,11H2,1H3/b9-4-
InChIKeyYEYAUUTWTKRXNC-WTKPLQERSA-N
XLogP-0.48
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine?
The IUPAC name of (1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine (CID 118423082) is (1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine.
What is the SMILES notation for (1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine?
The canonical SMILES for (1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine is CC(N)/C=C1/CN(C2COC2)CCN1.
What is the InChIKey of (1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine?
The InChIKey is YEYAUUTWTKRXNC-WTKPLQERSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(11)4-9-5-13(3-2-12-9)10-6-14-7-10/h4,8,10,12H,2-3,5-7,11H2,1H3/b9-4-.
What are the key properties of (1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine?
(1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine has a molecular weight of 197.28 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[4-(oxetan-3-yl)piperazin-2-ylidene]propan-2-amine is sourced from PubChem (CID 118423082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).