N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide

C18H30N4 — CID 142909876

IUPACN-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide
SMILESC=CC1(C/C(N)=N/C(CC)=N/C2CCNCC2)CC1/C=C\C
InChIInChI=1S/C18H30N4/c1-4-7-14-12-18(14,6-3)13-16(19)22-17(5-2)21-15-8-10-20-11-9-15/h4,6-7,14-15,20H,3,5,8-13H2,1-2H3,(H2,19,21,22)/b7-4-
InChIKeyXVZFXLFQFCKWOS-DAXSKMNVSA-N
MW302.47 g/mol
LogP3.06
Rot. Bonds6

About N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide

N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide (PubChem CID 142909876) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide.

Molecular Properties

Compound NameN-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide
PubChem CID142909876
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide
SMILESC=CC1(C/C(N)=N/C(CC)=N/C2CCNCC2)CC1/C=C\C
InChIInChI=1S/C18H30N4/c1-4-7-14-12-18(14,6-3)13-16(19)22-17(5-2)21-15-8-10-20-11-9-15/h4,6-7,14-15,20H,3,5,8-13H2,1-2H3,(H2,19,21,22)/b7-4-
InChIKeyXVZFXLFQFCKWOS-DAXSKMNVSA-N
XLogP3.06
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide?
The IUPAC name of N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide (CID 142909876) is N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide.
What is the SMILES notation for N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide?
The canonical SMILES for N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide is C=CC1(C/C(N)=N/C(CC)=N/C2CCNCC2)CC1/C=C\C.
What is the InChIKey of N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide?
The InChIKey is XVZFXLFQFCKWOS-DAXSKMNVSA-N. The full InChI is InChI=1S/C18H30N4/c1-4-7-14-12-18(14,6-3)13-16(19)22-17(5-2)21-15-8-10-20-11-9-15/h4,6-7,14-15,20H,3,5,8-13H2,1-2H3,(H2,19,21,22)/b7-4-.
What are the key properties of N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide?
N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide has a molecular weight of 302.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide is sourced from PubChem (CID 142909876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).