N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine

C12H20N4 — CID 165120115

IUPACN-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine
SMILES[H]/N=C/C=C\C(=N/[H])N1CCCC(NC2CC2)C1
InChIInChI=1S/C12H20N4/c13-7-1-4-12(14)16-8-2-3-11(9-16)15-10-5-6-10/h1,4,7,10-11,13-15H,2-3,5-6,8-9H2/b4-1-,13-7+,14-12+
InChIKeyKQVICRDAGCKPMC-XGARMMFZSA-N
MW220.32 g/mol
LogP1.39
Rot. Bonds4

About N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine

N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine (PubChem CID 165120115) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine
PubChem CID165120115
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine
SMILES[H]/N=C/C=C\C(=N/[H])N1CCCC(NC2CC2)C1
InChIInChI=1S/C12H20N4/c13-7-1-4-12(14)16-8-2-3-11(9-16)15-10-5-6-10/h1,4,7,10-11,13-15H,2-3,5-6,8-9H2/b4-1-,13-7+,14-12+
InChIKeyKQVICRDAGCKPMC-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 N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine?
The IUPAC name of N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine (CID 165120115) is N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine.
What is the SMILES notation for N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine?
The canonical SMILES for N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine is [H]/N=C/C=C\C(=N/[H])N1CCCC(NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine?
The InChIKey is KQVICRDAGCKPMC-XGARMMFZSA-N. The full InChI is InChI=1S/C12H20N4/c13-7-1-4-12(14)16-8-2-3-11(9-16)15-10-5-6-10/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 N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine?
N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine 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 N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine is sourced from PubChem (CID 165120115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).