1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine

C10H20N4 — CID 70270391

IUPAC1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine
SMILESC=CC(N)N1CCN(C(N)C=C)CC1
InChIInChI=1S/C10H20N4/c1-3-9(11)13-5-7-14(8-6-13)10(12)4-2/h3-4,9-10H,1-2,5-8,11-12H2
InChIKeySRXZVLONNQZAIG-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.45
Rot. Bonds4

About 1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine

1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine (PubChem CID 70270391) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine
PubChem CID70270391
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine
SMILESC=CC(N)N1CCN(C(N)C=C)CC1
InChIInChI=1S/C10H20N4/c1-3-9(11)13-5-7-14(8-6-13)10(12)4-2/h3-4,9-10H,1-2,5-8,11-12H2
InChIKeySRXZVLONNQZAIG-UHFFFAOYSA-N
XLogP-0.45
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine?
The IUPAC name of 1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine (CID 70270391) is 1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine.
What is the SMILES notation for 1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine?
The canonical SMILES for 1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine is C=CC(N)N1CCN(C(N)C=C)CC1.
What is the InChIKey of 1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine?
The InChIKey is SRXZVLONNQZAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-9(11)13-5-7-14(8-6-13)10(12)4-2/h3-4,9-10H,1-2,5-8,11-12H2.
What are the key properties of 1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine?
1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine has a molecular weight of 196.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoprop-2-enyl)piperazin-1-yl]prop-2-en-1-amine is sourced from PubChem (CID 70270391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).