N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide

C14H24N4O — CID 89028295

IUPACN-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(C)CC1)C(=C/N)/C(N)=N/C1CCCC1
InChIInChI=1S/C14H24N4O/c1-14(7-8-14)13(19)18(2)11(9-15)12(16)17-10-5-3-4-6-10/h9-10H,3-8,15H2,1-2H3,(H2,16,17)/b11-9+
InChIKeyAJWDPRFOYQGDQV-PKNBQFBNSA-N
MW264.37 g/mol
LogP1.34
Rot. Bonds4

About N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide

N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide (PubChem CID 89028295) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide
PubChem CID89028295
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(C)CC1)C(=C/N)/C(N)=N/C1CCCC1
InChIInChI=1S/C14H24N4O/c1-14(7-8-14)13(19)18(2)11(9-15)12(16)17-10-5-3-4-6-10/h9-10H,3-8,15H2,1-2H3,(H2,16,17)/b11-9+
InChIKeyAJWDPRFOYQGDQV-PKNBQFBNSA-N
XLogP1.34
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
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-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide (CID 89028295) is N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide is CN(C(=O)C1(C)CC1)C(=C/N)/C(N)=N/C1CCCC1.
What is the InChIKey of N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide?
The InChIKey is AJWDPRFOYQGDQV-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(7-8-14)13(19)18(2)11(9-15)12(16)17-10-5-3-4-6-10/h9-10H,3-8,15H2,1-2H3,(H2,16,17)/b11-9+.
What are the key properties of N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide?
N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-diamino-3-cyclopentyliminoprop-1-en-2-yl]-N,1-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 89028295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).