5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine

C8H16N4 — CID 139357843

IUPAC5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine
SMILES[H]/N=C/C(=C\N)C1CNCC(N)C1
InChIInChI=1S/C8H16N4/c9-2-7(3-10)6-1-8(11)5-12-4-6/h2-3,6,8-9,12H,1,4-5,10-11H2/b7-3+,9-2+
InChIKeyVISVNAHLBPGXTR-DLNYEMBMSA-N
MW168.24 g/mol
LogP-0.58
Rot. Bonds2

About 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine

5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine (PubChem CID 139357843) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine
PubChem CID139357843
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine
SMILES[H]/N=C/C(=C\N)C1CNCC(N)C1
InChIInChI=1S/C8H16N4/c9-2-7(3-10)6-1-8(11)5-12-4-6/h2-3,6,8-9,12H,1,4-5,10-11H2/b7-3+,9-2+
InChIKeyVISVNAHLBPGXTR-DLNYEMBMSA-N
XLogP-0.58
TPSA87.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine?
The IUPAC name of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine (CID 139357843) is 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine.
What is the SMILES notation for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine?
The canonical SMILES for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine is [H]/N=C/C(=C\N)C1CNCC(N)C1.
What is the InChIKey of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine?
The InChIKey is VISVNAHLBPGXTR-DLNYEMBMSA-N. The full InChI is InChI=1S/C8H16N4/c9-2-7(3-10)6-1-8(11)5-12-4-6/h2-3,6,8-9,12H,1,4-5,10-11H2/b7-3+,9-2+.
What are the key properties of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine?
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine has a molecular weight of 168.24 g/mol, XLogP of -0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine is sourced from PubChem (CID 139357843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).