(Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide

C12H20N4 — CID 170731591

IUPAC(Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide
SMILES[H]/N=C/C=C\C(=N/[H])N(C1CC1)C1CCCNC1
InChIInChI=1S/C12H20N4/c13-7-1-4-12(14)16(10-5-6-10)11-3-2-8-15-9-11/h1,4,7,10-11,13-15H,2-3,5-6,8-9H2/b4-1-,13-7+,14-12+
InChIKeyDBUWHCIQAHGZTI-XGARMMFZSA-N
MW220.32 g/mol
LogP1.39
Rot. Bonds4

About (Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide

(Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide (PubChem CID 170731591) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide
PubChem CID170731591
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide
SMILES[H]/N=C/C=C\C(=N/[H])N(C1CC1)C1CCCNC1
InChIInChI=1S/C12H20N4/c13-7-1-4-12(14)16(10-5-6-10)11-3-2-8-15-9-11/h1,4,7,10-11,13-15H,2-3,5-6,8-9H2/b4-1-,13-7+,14-12+
InChIKeyDBUWHCIQAHGZTI-XGARMMFZSA-N
XLogP1.39
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide?
The IUPAC name of (Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide (CID 170731591) is (Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide.
What is the SMILES notation for (Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide?
The canonical SMILES for (Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide is [H]/N=C/C=C\C(=N/[H])N(C1CC1)C1CCCNC1.
What is the InChIKey of (Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide?
The InChIKey is DBUWHCIQAHGZTI-XGARMMFZSA-N. The full InChI is InChI=1S/C12H20N4/c13-7-1-4-12(14)16(10-5-6-10)11-3-2-8-15-9-11/h1,4,7,10-11,13-15H,2-3,5-6,8-9H2/b4-1-,13-7+,14-12+.
What are the key properties of (Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide?
(Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide has a molecular weight of 220.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide is sourced from PubChem (CID 170731591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).