3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide

C15H27N3 — CID 137484630

IUPAC3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide
SMILESC=CCN/C(CC(N)CC1CC=C(CC)C1)=N\C
InChIInChI=1S/C15H27N3/c1-4-8-18-15(17-3)11-14(16)10-13-7-6-12(5-2)9-13/h4,6,13-14H,1,5,7-11,16H2,2-3H3,(H,17,18)
InChIKeyLSOPCHQIMLEMEW-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.64
Rot. Bonds7

About 3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide

3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide (PubChem CID 137484630) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide.

Molecular Properties

Compound Name3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide
PubChem CID137484630
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide
SMILESC=CCN/C(CC(N)CC1CC=C(CC)C1)=N\C
InChIInChI=1S/C15H27N3/c1-4-8-18-15(17-3)11-14(16)10-13-7-6-12(5-2)9-13/h4,6,13-14H,1,5,7-11,16H2,2-3H3,(H,17,18)
InChIKeyLSOPCHQIMLEMEW-UHFFFAOYSA-N
XLogP2.64
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.64
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 3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide?
The IUPAC name of 3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide (CID 137484630) is 3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide.
What is the SMILES notation for 3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide?
The canonical SMILES for 3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide is C=CCN/C(CC(N)CC1CC=C(CC)C1)=N\C.
What is the InChIKey of 3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide?
The InChIKey is LSOPCHQIMLEMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-8-18-15(17-3)11-14(16)10-13-7-6-12(5-2)9-13/h4,6,13-14H,1,5,7-11,16H2,2-3H3,(H,17,18).
What are the key properties of 3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide?
3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide has a molecular weight of 249.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide is sourced from PubChem (CID 137484630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).